1-[(5R,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-naphthalen-1-yl-thiourea

Systemtic Name: 1-[(5R,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,10a,12-tetrakis(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-naphthalen-1-yl-thiourea Openeye Name: 1-[(5R,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-(1-naphthyl)thiourea CAS Name: 1-[(5R,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-(1-naphthalenyl)thiourea IUPAC Name: 1-[(5R,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-naphthalen-1-ylthiourea Traditional Name: 1-[(5R,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,10a,12-tetrahydroxy-8,10,11-triketo-5-methyl-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-(1-naphthyl)thiourea Formula: C33H32N4O8S MolecularWeight: 644.69418

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=S)NC5=CC=CC6=CC=CC=C65)O)O)N(C)C)O

Isomeric SMILES

C[C@@H]1C2C(C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=S)NC5=CC=CC6=CC=CC=C65)O)O)N(C)C)O

InChI

InChI=1S/C33H32N4O8S/c1-13-15-11-12-18(36-32(46)35-17-10-6-8-14-7-4-5-9-16(14)17)25(38)20(15)26(39)21-19(13)27(40)23-24(37(2)3)28(41)22(31(34)44)30(43)33(23,45)29(21)42/h4-13,19,23-24,27,38-40,44-45H,34H2,1-3H3,(H2,35,36,46)/b31-22-/t13-,19?,23?,24-,27?,33-/m0/s1