(2S)-N-(2-azanylethyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: (2S)-N-(2-azanylethyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: (2S)-N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]thio]butanamide IUPAC Name: (2S)-N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylbutanamide Traditional Name: (2S)-N-(2-aminoethyl)-2-[[2-keto-2-(m-toluidino)ethyl]thio]butyramide Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN)SCC(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CC[C@@H](C(=O)NCCN)SCC(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C15H23N3O2S/c1-3-13(15(20)17-8-7-16)21-10-14(19)18-12-6-4-5-11(2)9-12/h4-6,9,13H,3,7-8,10,16H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1