1-[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Formula: C32H31F6N5O7S MolecularWeight: 743.673259

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O)C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O

InChI

InChI=1S/C32H31F6N5O7S/c1-42(2)18-10-17(41-29(51)40-14-8-12(31(33,34)35)7-13(9-14)32(36,37)38)23(44)20-15(18)5-11-6-16-22(43(3)4)25(46)21(28(39)49)27(48)30(16,50)26(47)19(11)24(20)45/h7-11,16,22,44-45,49-50H,5-6,39H2,1-4H3,(H2,40,41,51)/b28-21+