(2S)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-N-(m-tolyl)propionamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C18H21N3O2S/c1-12-6-5-7-14(10-12)21-18(23)13(2)20-15-8-3-4-9-16(15)24-11-17(19)22/h3-10,13,20H,11H2,1-2H3,(H2,19,22)(H,21,23)/t13-/m0/s1