N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfanylbutanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-piperonyl-butyramide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c19-14-4-6-15(7-5-14)24-9-1-2-18(21)20-11-13-3-8-16-17(10-13)23-12-22-16/h3-8,10H,1-2,9,11-12H2,(H,20,21)