2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)butanamide

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)butanamide Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)butanamide CAS Name: 2-[(4-aminophenyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)butanamide IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)butanamide Traditional Name: 2-[(4-aminophenyl)thio]-N-piperonyl-butyramide Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)N

Isomeric SMILES

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C18H20N2O3S/c1-2-17(24-14-6-4-13(19)5-7-14)18(21)20-10-12-3-8-15-16(9-12)23-11-22-15/h3-9,17H,2,10-11,19H2,1H3,(H,20,21)