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

Systemtic Name: (4S)-4-(5-bromanyl-2-propoxy-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(5-bromo-2-propoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(5-bromo-2-propoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(5-bromo-2-propoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(5-bromo-2-propoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)[C@H]2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2S/c1-3-11-27-17-10-9-14(22)12-16(17)19-18(13(2)23-21(28)25-19)20(26)24-15-7-5-4-6-8-15/h4-10,12,19H,3,11H2,1-2H3,(H,24,26)(H2,23,25,28)/t19-/m0/s1