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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-chlorophenyl)-6-methyl-N-piperonyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClN3O3S/c1-11-17(18(24-20(28)23-11)13-3-5-14(21)6-4-13)19(25)22-9-12-2-7-15-16(8-12)27-10-26-15/h2-8,18H,9-10H2,1H3,(H,22,25)(H2,23,24,28)