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

Systemtic Name: 1-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-5-(phenylazanylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(anilinomethyl)-1-[(2-oxo-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(anilinomethyl)-1-[[2-oxo-2-(10-phenothiazinyl)ethyl]amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(anilinomethyl)-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(anilinomethyl)-1-[(2-keto-2-phenothiazin-10-yl-ethyl)amino]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C31H25N5O3S2 MolecularWeight: 579.6919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=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/C31H25N5O3S2/c37-28(35-24-15-7-9-17-26(24)41-27-18-10-8-16-25(27)35)20-33-36-30(39)23(19-32-21-11-3-1-4-12-21)29(38)34(31(36)40)22-13-5-2-6-14-22/h1-18,23,32-33H,19-20H2