N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC=CO2)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCC(C2=CC=CO2)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-17-8-10-19(11-9-17)25-22(27)16-30-18(2)23(28)24-15-20(21-7-6-14-29-21)26-12-4-3-5-13-26/h6-11,14,18,20H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27)