(4S)-4-[2-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-[2-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-benzyl-4-[2-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-benzyl-4-[2-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-benzyl-4-[2-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC#N)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2Br)OCC#N)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN4O3S/c1-13-19(21(28)25-12-14-6-4-3-5-7-14)20(27-22(31)26-13)15-10-17(29-2)18(11-16(15)23)30-9-8-24/h3-7,10-11,20H,9,12H2,1-2H3,(H,25,28)(H2,26,27,31)/t20-/m1/s1