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

Systemtic Name: 4-(6-chloranyl-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2Cl)OCO3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2Cl)OCO3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18ClN3O4S/c1-10-17(19(25)23-11-3-5-12(26-2)6-4-11)18(24-20(29)22-10)13-7-15-16(8-14(13)21)28-9-27-15/h3-8,18H,9H2,1-2H3,(H,23,25)(H2,22,24,29)