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

Systemtic Name: ethyl 4-[[3-benzamido-1-(4-chlorophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-benzamido-1-(4-chlorophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-benzamido-1-(4-chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinan-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-benzamido-1-(4-chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-benzamido-1-(4-chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C27H23ClN4O5S MolecularWeight: 551.01332

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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)Cl

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)Cl

InChI

InChI=1S/C27H23ClN4O5S/c1-2-37-26(36)18-8-12-20(13-9-18)29-25(35)22-16-23(33)31(21-14-10-19(28)11-15-21)27(38)32(22)30-24(34)17-6-4-3-5-7-17/h3-15,22H,2,16H2,1H3,(H,29,35)(H,30,34)