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

Systemtic Name: (2S)-4-methylsulfanyl-2-[(4-propylphenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-[(4-propylphenyl)sulfonylamino]-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[(4-propylphenyl)sulfonylamino]-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[(4-propylphenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-[(4-propylphenyl)sulfonylamino]-N-(thiazol-4-ylmethyl)butyramide Formula: C18H25N3O3S3 MolecularWeight: 427.6044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C18H25N3O3S3/c1-3-4-14-5-7-16(8-6-14)27(23,24)21-17(9-10-25-2)18(22)19-11-15-12-26-13-20-15/h5-8,12-13,17,21H,3-4,9-11H2,1-2H3,(H,19,22)/t17-/m0/s1