2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-methylsulfanyl-1-(4-pyridylmethylcarbamoyl)propyl]benzamide CAS Name: 2-chloro-N-[(2S)-4-(methylthio)-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-(methylthio)-1-(4-pyridylmethylcarbamoyl)propyl]benzamide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=NC=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-25-11-8-16(18(24)21-12-13-6-9-20-10-7-13)22-17(23)14-4-2-3-5-15(14)19/h2-7,9-10,16H,8,11-12H2,1H3,(H,21,24)(H,22,23)/t16-/m0/s1