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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-piperonyl-acetamide Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20ClN3O4S/c1-13-17(9-20(27)24-10-14-5-6-18-19(8-14)30-12-29-18)21(28)26-22(25-13)31-11-15-3-2-4-16(23)7-15/h2-8H,9-12H2,1H3,(H,24,27)(H,25,26,28)