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

Systemtic Name: 4-(3-bromanyl-4-butoxy-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-4-butoxy-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-4-butoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-4-butoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-4-butoxy-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)Br

InChI

InChI=1S/C23H26BrN3O2S/c1-4-5-12-29-19-11-8-16(13-18(19)24)21-20(15(3)25-23(30)27-21)22(28)26-17-9-6-14(2)7-10-17/h6-11,13,21H,4-5,12H2,1-3H3,(H,26,28)(H2,25,27,30)