(6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-6-(4-bromophenyl)-3-cyclopropyl-N-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2CC2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C22H22BrN3O2S/c1-13-19(21(27)24-17-5-3-4-6-18(17)28-2)20(14-7-9-15(23)10-8-14)25-22(29)26(13)16-11-12-16/h3-10,16,20H,11-12H2,1-2H3,(H,24,27)(H,25,29)/t20-/m0/s1