(4S,5R)-N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5R,6S)-N-(3,4-dimethylphenyl)-4-methylene-6-p-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-27-18-10-7-16(8-11-18)20-19(15(4)23-22(28)25-20)21(26)24-17-9-6-13(2)14(3)12-17/h6-12,19-20H,4-5H2,1-3H3,(H,24,26)(H2,23,25,28)/t19-,20+/m0/s1