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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(4-iodophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(4-iodophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(4-iodophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H16IN3O3S MolecularWeight: 493.31811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C19H16IN3O3S/c1-10-16(18(24)22-13-5-3-12(20)4-6-13)17(23-19(27)21-10)11-2-7-14-15(8-11)26-9-25-14/h2-8,17H,9H2,1H3,(H,22,24)(H2,21,23,27)