N-(4-bromophenyl)-4-(2-chloranyl-4,5-diethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(4-bromophenyl)-4-(2-chloranyl-4,5-diethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(4-bromophenyl)-4-(2-chloro-4,5-diethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(4-bromophenyl)-4-(2-chloro-4,5-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(4-bromophenyl)-4-(2-chloro-4,5-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(4-bromophenyl)-4-(2-chloro-4,5-diethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H23BrClN3O3S MolecularWeight: 524.85832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)Br)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)Br)Cl)OCC

InChI

InChI=1S/C22H23BrClN3O3S/c1-4-29-17-10-15(16(24)11-18(17)30-5-2)20-19(12(3)25-22(31)27-20)21(28)26-14-8-6-13(23)7-9-14/h6-11,20H,4-5H2,1-3H3,(H,26,28)(H2,25,27,31)