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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(2-pyridylmethylcarbamoyl)propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: 3-keto-N-[(1S)-3-(methylthio)-1-(2-pyridylmethylcarbamoyl)propyl]-2,4-dihydroquinoxaline-1-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C20H23N5O3S/c1-29-11-9-16(19(27)22-12-14-6-4-5-10-21-14)24-20(28)25-13-18(26)23-15-7-2-3-8-17(15)25/h2-8,10,16H,9,11-13H2,1H3,(H,22,27)(H,23,26)(H,24,28)/t16-/m0/s1