(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(2-thienylmethylsulfanyl)ethyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[2-(thiophen-2-ylmethylthio)ethyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(2-thenylthio)ethyl]butyramide Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CS1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CS1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O2S2/c1-15(2)19(22-18(23)13-16-7-4-3-5-8-16)20(24)21-10-12-25-14-17-9-6-11-26-17/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,21,24)(H,22,23)/t19-/m0/s1