N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-piperonyl-acetamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O4S/c22-15-3-1-2-14(6-15)11-30-21-24-16(9-20(27)25-21)8-19(26)23-10-13-4-5-17-18(7-13)29-12-28-17/h1-7,9H,8,10-12H2,(H,23,26)(H,24,25,27)