N-[3-(diethylaminomethyl)phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[3-(diethylaminomethyl)phenyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[3-(diethylaminomethyl)phenyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[3-(diethylaminomethyl)phenyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[3-(diethylaminomethyl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[3-(diethylaminomethyl)phenyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C23H31N3O2S/c1-5-26(6-2)15-19-8-7-9-21(14-19)25-23(28)18(4)29-16-22(27)24-20-12-10-17(3)11-13-20/h7-14,18H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)