(2S)-N-(2-azanylethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-azanylethyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: (2S)-N-(2-aminoethyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: (2S)-N-(2-aminoethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: (2S)-N-(2-aminoethyl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCN

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NCCN

InChI

InChI=1S/C14H21N3O2S/c1-10-3-5-12(6-4-10)17-13(18)9-20-11(2)14(19)16-8-7-15/h3-6,11H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)/t11-/m0/s1