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

Systemtic Name: 3-methoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 3-methoxy-N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide CAS Name: 3-methoxy-N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]benzamide IUPAC Name: 3-methoxy-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 3-methoxy-N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]benzamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NCC2=CSC=N2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C(=O)NCC2=CSC=N2

InChI

InChI=1S/C17H21N3O3S2/c1-23-14-5-3-4-12(8-14)16(21)20-15(6-7-24-2)17(22)18-9-13-10-25-11-19-13/h3-5,8,10-11,15H,6-7,9H2,1-2H3,(H,18,22)(H,20,21)/t15-/m0/s1