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

Systemtic Name: ethyl 4-[(3-benzamido-6-oxidanylidene-1-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-benzamido-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[(3-benzamido-6-oxo-1-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzamido-6-oxo-1-phenyl-2-sulfanylidene-1,3-diazinane-4-carbonyl)amino]benzoate Traditional Name: 4-[(3-benzamido-6-keto-1-phenyl-2-thioxo-hexahydropyrimidine-4-carbonyl)amino]benzoic acid ethyl ester Formula: C27H24N4O5S MolecularWeight: 516.56826

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O5S/c1-2-36-26(35)19-13-15-20(16-14-19)28-25(34)22-17-23(32)30(21-11-7-4-8-12-21)27(37)31(22)29-24(33)18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H,28,34)(H,29,33)