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

Systemtic Name: 5-[[(3-methylphenyl)amino]methyl]-1-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-methylanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-methylanilino)methyl]-1-[[2-oxo-2-(10-phenothiazinyl)ethyl]amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-methylanilino)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-(m-toluidinomethyl)-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C32H27N5O3S2 MolecularWeight: 593.71848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2C(=O)N(C(=S)N(C2=O)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NCC2C(=O)N(C(=S)N(C2=O)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C32H27N5O3S2/c1-21-10-9-11-22(18-21)33-19-24-30(39)35(23-12-3-2-4-13-23)32(41)37(31(24)40)34-20-29(38)36-25-14-5-7-16-27(25)42-28-17-8-6-15-26(28)36/h2-18,24,33-34H,19-20H2,1H3