(4S,5R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-[3-(4-chlorobenzyl)oxyphenyl]-N-(2,4-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H26ClN3O2S/c1-16-7-12-23(17(2)13-16)30-26(32)24-18(3)29-27(34)31-25(24)20-5-4-6-22(14-20)33-15-19-8-10-21(28)11-9-19/h4-14,24-25H,3,15H2,1-2H3,(H,30,32)(H2,29,31,34)/t24-,25+/m0/s1