5-[[(4-nitrophenyl)amino]methyl]-1-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(4-nitrophenyl)amino]methyl]-1-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-nitroanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-nitroanilino)methyl]-1-[[2-oxo-2-(10-phenothiazinyl)ethyl]amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-nitroanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(2-keto-2-phenothiazin-10-yl-ethyl)amino]-5-[(4-nitroanilino)methyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C31H24N6O5S2 MolecularWeight: 624.68946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CNC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CNC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H24N6O5S2/c38-28(35-24-10-4-6-12-26(24)44-27-13-7-5-11-25(27)35)19-33-36-30(40)23(18-32-20-14-16-22(17-15-20)37(41)42)29(39)34(31(36)43)21-8-2-1-3-9-21/h1-17,23,32-33H,18-19H2