(2S)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-(m-tolylsulfonylamino)-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(3-methylphenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-(m-tolylsulfonylamino)-N-(thiazol-4-ylmethyl)butyramide Formula: C16H21N3O3S3 MolecularWeight: 399.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C16H21N3O3S3/c1-12-4-3-5-14(8-12)25(21,22)19-15(6-7-23-2)16(20)17-9-13-10-24-11-18-13/h3-5,8,10-11,15,19H,6-7,9H2,1-2H3,(H,17,20)/t15-/m0/s1