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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]pyridine-4-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(thiazol-4-ylmethylcarbamoyl)propyl]pyridine-4-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-(4-thiazolylmethylamino)butan-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-4-ylmethylamino)butan-2-yl]pyridine-4-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-(thiazol-4-ylmethylcarbamoyl)propyl]isonicotinamide Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S2/c1-22-7-4-13(15(21)17-8-12-9-23-10-18-12)19-14(20)11-2-5-16-6-3-11/h2-3,5-6,9-10,13H,4,7-8H2,1H3,(H,17,21)(H,19,20)/t13-/m0/s1