N-(4-bromophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(4-bromophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(4-bromophenyl)-4-(4-isopropylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(4-bromophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(4-bromophenyl)-6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(4-bromophenyl)-6-methyl-4-p-cumenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3OS/c1-12(2)14-4-6-15(7-5-14)19-18(13(3)23-21(27)25-19)20(26)24-17-10-8-16(22)9-11-17/h4-12,19H,1-3H3,(H,24,26)(H2,23,25,27)