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

Systemtic Name: 3-benzamido-6-oxidanylidene-N-(4-propan-2-ylphenyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide Openeye Name: 3-benzamido-N-(4-isopropylphenyl)-6-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4-carboxamide CAS Name: 3-benzamido-6-oxo-N-(4-propan-2-ylphenyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide IUPAC Name: 3-benzamido-6-oxo-N-(4-propan-2-ylphenyl)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4-carboxamide Traditional Name: 3-benzamido-6-keto-N-p-cumenyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4-carboxamide Formula: C28H25F3N4O3S MolecularWeight: 554.58331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=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/C28H25F3N4O3S/c1-17(2)18-11-13-21(14-12-18)32-26(38)23-16-24(36)34(22-10-6-9-20(15-22)28(29,30)31)27(39)35(23)33-25(37)19-7-4-3-5-8-19/h3-15,17,23H,16H2,1-2H3,(H,32,38)(H,33,37)