4-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)butanamide

Systemtic Name: 4-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 4-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)butanamide CAS Name: 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 4-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(m-tolyl)butyramide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-15-6-4-7-16(12-15)22-20(24)8-5-11-28-14-21(25)23-17-9-10-18(26-2)19(13-17)27-3/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,24)(H,23,25)