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

Systemtic Name: N-(3-methylphenyl)-4-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(m-tolyl)-4-[2-[[(1S)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(3-methylphenyl)-4-[[2-[[(1S)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]sulfanylbutanamide Traditional Name: 4-[[2-keto-2-[[(1S)-1-(2-naphthyl)ethyl]amino]ethyl]thio]-N-(m-tolyl)butyramide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N[C@@H](C)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H28N2O2S/c1-18-7-5-10-23(15-18)27-24(28)11-6-14-30-17-25(29)26-19(2)21-13-12-20-8-3-4-9-22(20)16-21/h3-5,7-10,12-13,15-16,19H,6,11,14,17H2,1-2H3,(H,26,29)(H,27,28)/t19-/m0/s1