3-bromanyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 3-bromanyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 3-bromo-N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide CAS Name: 3-bromo-N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]benzamide IUPAC Name: 3-bromo-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 3-bromo-N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide Formula: C16H18BrN3O2S2 MolecularWeight: 428.36702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S2/c1-23-6-5-14(16(22)18-8-13-9-24-10-19-13)20-15(21)11-3-2-4-12(17)7-11/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,18,22)(H,20,21)/t14-/m0/s1