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

Systemtic Name: 4-(3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-[3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C25H28BrN3O3S MolecularWeight: 530.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)Br)OC4CCCC4)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)Br)OC4CCCC4)OC)C

InChI

InChI=1S/C25H28BrN3O3S/c1-14-8-4-7-11-19(14)28-24(30)21-15(2)27-25(33)29-22(21)16-12-18(26)23(20(13-16)31-3)32-17-9-5-6-10-17/h4,7-8,11-13,17,22H,5-6,9-10H2,1-3H3,(H,28,30)(H2,27,29,33)