3-benzamido-N-(3-methylphenyl)-6-oxidanylidene-1-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: 3-benzamido-N-(3-methylphenyl)-6-oxidanylidene-1-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxamide Openeye Name: 3-benzamido-N-(m-tolyl)-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide CAS Name: 3-benzamido-N-(3-methylphenyl)-6-oxo-1-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxamide IUPAC Name: 3-benzamido-N-(3-methylphenyl)-6-oxo-1-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxamide Traditional Name: 3-benzamido-6-keto-N-(m-tolyl)-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-17-9-8-12-19(15-17)26-24(32)21-16-22(30)28(20-13-6-3-7-14-20)25(33)29(21)27-23(31)18-10-4-2-5-11-18/h2-15,21H,16H2,1H3,(H,26,32)(H,27,31)