N-(3-methylphenyl)-4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-4-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-butanamide Openeye Name: N-(m-tolyl)-4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-butanamide CAS Name: N-(3-methylphenyl)-4-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanylbutanamide Traditional Name: 4-[[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-N-(m-tolyl)butyramide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-16-8-6-11-19(14-16)23-20(24)12-7-13-26-15-21(25)22-17(2)18-9-4-3-5-10-18/h3-6,8-11,14,17H,7,12-13,15H2,1-2H3,(H,22,25)(H,23,24)/t17-/m0/s1