N-(1,3-benzodioxol-5-ylmethyl)-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-piperonyl-benzamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O4S/c1-13(2)22-19(23)11-27-18-6-4-3-5-15(18)20(24)21-10-14-7-8-16-17(9-14)26-12-25-16/h3-9,13H,10-12H2,1-2H3,(H,21,24)(H,22,23)