N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]acetamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O4S/c1-14-3-2-4-16(9-14)22-20(24)13-27-12-19(23)21-11-15-5-6-17-18(10-15)26-8-7-25-17/h2-6,9-10H,7-8,11-13H2,1H3,(H,21,23)(H,22,24)