2-ethylsulfanyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]pyridine-3-carboxamide

Systemtic Name: 2-ethylsulfanyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]pyridine-3-carboxamide Openeye Name: 2-ethylsulfanyl-N-[2-oxo-2-[[(3R)-1-(p-tolylmethyl)pyrrolidin-3-yl]amino]ethyl]pyridine-3-carboxamide CAS Name: 2-(ethylthio)-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethylsulfanyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-[2-keto-2-[[(3R)-1-(4-methylbenzyl)pyrrolidin-3-yl]amino]ethyl]nicotinamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NCC(=O)NC2CCN(C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NCC(=O)N[C@@H]2CCN(C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O2S/c1-3-29-22-19(5-4-11-23-22)21(28)24-13-20(27)25-18-10-12-26(15-18)14-17-8-6-16(2)7-9-17/h4-9,11,18H,3,10,12-15H2,1-2H3,(H,24,28)(H,25,27)/t18-/m1/s1