N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(1-sulfanylethyl)octanamide

Systemtic Name: N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(1-sulfanylethyl)octanamide Openeye Name: N-[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]-2-(1-sulfanylethyl)octanamide CAS Name: 2-(1-mercaptoethyl)-N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]octanamide IUPAC Name: N-[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-2-(1-sulfanylethyl)octanamide Traditional Name: N-[2-keto-2-(methylamino)-1-p-anisyl-ethyl]-2-(1-mercaptoethyl)caprylamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)S)C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC

Isomeric SMILES

CCCCCCC(C(C)S)C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC

InChI

InChI=1S/C21H34N2O3S/c1-5-6-7-8-9-18(15(2)27)20(24)23-19(21(25)22-3)14-16-10-12-17(26-4)13-11-16/h10-13,15,18-19,27H,5-9,14H2,1-4H3,(H,22,25)(H,23,24)