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

Systemtic Name: 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 2-methyl-N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide CAS Name: 2-methyl-N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]benzamide IUPAC Name: 2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 2-methyl-N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C17H21N3O2S2/c1-12-5-3-4-6-14(12)16(21)20-15(7-8-23-2)17(22)18-9-13-10-24-11-19-13/h3-6,10-11,15H,7-9H2,1-2H3,(H,18,22)(H,20,21)/t15-/m0/s1