4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-N-(2-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-N-(2-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21BrClN3O3S MolecularWeight: 510.83174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H21BrClN3O3S/c1-4-29-19-13(22)9-12(10-16(19)28-3)18-17(11(2)24-21(30)26-18)20(27)25-15-8-6-5-7-14(15)23/h5-10,18H,4H2,1-3H3,(H,25,27)(H2,24,26,30)