(4S)-4-(5-bromanyl-2-cyclopentyloxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(5-bromanyl-2-cyclopentyloxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-[5-bromo-2-(cyclopentoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(5-bromo-2-cyclopentyloxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(5-bromo-2-cyclopentyloxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-[5-bromo-2-(cyclopentoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)Br)C3C(=C(NC(=S)N3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)Br)[C@H]3C(=C(NC(=S)N3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H22BrN3O2S/c23-14-10-11-17(28-15-8-4-5-9-15)16(12-14)20-18(21(24)27)19(25-22(29)26-20)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,20H,4-5,8-9H2,(H2,24,27)(H2,25,26,29)/t20-/m0/s1