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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[3-methylsulfanyl-1-(3-pyridylmethylcarbamoyl)propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: 3-keto-N-[3-(methylthio)-1-(3-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=CN=CC=C1)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)NCC1=CN=CC=C1)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

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