methyl (6S)-4-methyl-6-phenethyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-4-methyl-6-phenethyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-benzyl-4-methyl-6-phenethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-6-phenethyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-benzyl-4-methyl-6-phenethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-4-methyl-6-phenethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1CC2=CC=CC=C2)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O2S/c1-16-20(21(25)26-2)19(14-13-17-9-5-3-6-10-17)23-22(27)24(16)15-18-11-7-4-8-12-18/h3-12,19H,13-15H2,1-2H3,(H,23,27)/t19-/m0/s1