3-benzamido-N-(3-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide

Systemtic Name: 3-benzamido-N-(3-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide Openeye Name: 3-benzamido-N-(3-methoxyphenyl)-6-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4-carboxamide CAS Name: 3-benzamido-N-(3-methoxyphenyl)-6-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide IUPAC Name: 3-benzamido-N-(3-methoxyphenyl)-6-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide Traditional Name: 3-benzamido-6-keto-N-(3-methoxyphenyl)-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4-carboxamide Formula: C26H21F3N4O4S MolecularWeight: 542.52955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=S)N2NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3N4O4S/c1-37-20-12-6-10-18(14-20)30-24(36)21-15-22(34)32(19-11-5-9-17(13-19)26(27,28)29)25(38)33(21)31-23(35)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,30,36)(H,31,35)