(2Z,4S,5S,6R,12aS)-6-(cyclopentylsulfanylmethyl)-4-(dimethylamino)-2-[(morpholin-4-ylmethylamino)-oxidanyl-methylidene]-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4S,5S,6R,12aS)-6-(cyclopentylsulfanylmethyl)-4-(dimethylamino)-2-[(morpholin-4-ylmethylamino)-oxidanyl-methylidene]-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,5S,6R,12aS)-6-(cyclopentylsulfanylmethyl)-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-2-[hydroxy-(morpholinomethylamino)methylene]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,5S,6R,12aS)-6-[(cyclopentylthio)methyl]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-2-[hydroxy-(4-morpholinylmethylamino)methylidene]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,5S,6R,12aS)-6-(cyclopentylsulfanylmethyl)-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-2-[hydroxy-(morpholin-4-ylmethylamino)methylidene]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,5S,6R,12aS)-6-[(cyclopentylthio)methyl]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-2-[hydroxy-(morpholinomethylamino)methylene]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C32H41N3O9S MolecularWeight: 643.74764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2C(C3C(C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=O)C(=C(NCN5CCOCC5)O)C1=O)O)O)CSC6CCCC6)O

Isomeric SMILES

CN(C)[C@H]1C2[C@H](C3[C@H](C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/NCN5CCOCC5)\O)/C1=O)O)O)CSC6CCCC6)O

InChI

InChI=1S/C32H41N3O9S/c1-34(2)25-24-27(38)21-18(14-45-16-6-3-4-7-16)17-8-5-9-19(36)20(17)26(37)22(21)29(40)32(24,43)30(41)23(28(25)39)31(42)33-15-35-10-12-44-13-11-35/h5,8-9,16,18,21,24-25,27,33,36-38,42-43H,3-4,6-7,10-15H2,1-2H3/b31-23-/t18-,21?,24?,25-,27-,32-/m0/s1