4-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c1-15-7-10-18(11-8-15)26-24(29)21-22(16-5-3-2-4-6-16)27-25(32)28-23(21)17-9-12-19-20(13-17)31-14-30-19/h2-13,23H,14H2,1H3,(H,26,29)(H2,27,28,32)