ethyl 4-[[3-benzamido-1-(3,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-benzamido-1-(3,5-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-benzamido-1-(3,5-dimethylphenyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-benzamido-1-(3,5-dimethylphenyl)-6-oxo-2-sulfanylidene-1,3-diazinan-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-benzamido-1-(3,5-dimethylphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-benzamido-1-(3,5-dimethylphenyl)-6-keto-2-thioxo-hexahydropyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C29H28N4O5S MolecularWeight: 544.62142

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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)C)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(=CC(=C4)C)C

InChI

InChI=1S/C29H28N4O5S/c1-4-38-28(37)21-10-12-22(13-11-21)30-27(36)24-17-25(34)32(23-15-18(2)14-19(3)16-23)29(39)33(24)31-26(35)20-8-6-5-7-9-20/h5-16,24H,4,17H2,1-3H3,(H,30,36)(H,31,35)