ethyl 4-[[3-benzamido-1-(4-methylphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-benzamido-1-(4-methylphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-benzamido-6-oxo-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-benzamido-1-(4-methylphenyl)-6-oxo-2-sulfanylidene-1,3-diazinan-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-benzamido-1-(4-methylphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-benzamido-6-keto-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O5S/c1-3-37-27(36)20-11-13-21(14-12-20)29-26(35)23-17-24(33)31(22-15-9-18(2)10-16-22)28(38)32(23)30-25(34)19-7-5-4-6-8-19/h4-16,23H,3,17H2,1-2H3,(H,29,35)(H,30,34)