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

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-(brosylamino)-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C15H18BrN3O3S3 MolecularWeight: 464.42072

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrN3O3S3/c1-23-7-6-14(15(20)17-8-12-9-24-10-18-12)19-25(21,22)13-4-2-11(16)3-5-13/h2-5,9-10,14,19H,6-8H2,1H3,(H,17,20)/t14-/m0/s1