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

Systemtic Name: (5R,6S)-4-methylidene-6-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5R,6S)-4-methylene-6-(4-pentoxyphenyl)-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5R,6S)-4-methylene-6-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5R,6S)-4-methylidene-6-(4-pentoxyphenyl)-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(4-amoxyphenyl)-6-methylene-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-3-4-8-15-28-19-13-11-17(12-14-19)21-20(16(2)24-23(29)26-21)22(27)25-18-9-6-5-7-10-18/h5-7,9-14,20-21H,2-4,8,15H2,1H3,(H,25,27)(H2,24,26,29)/t20-,21+/m0/s1