(2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C17H23N3O3S3 MolecularWeight: 413.57782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S3/c1-12-6-13(2)8-15(7-12)26(22,23)20-16(4-5-24-3)17(21)18-9-14-10-25-11-19-14/h6-8,10-11,16,20H,4-5,9H2,1-3H3,(H,18,21)/t16-/m0/s1