N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-piperonyl-propionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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