N-[(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-[(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-1-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: N-[(1S)-1-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-(methylthio)propyl]-3-keto-2,4-dihydroquinoxaline-1-carboxamide Formula: C20H20ClFN4O3S MolecularWeight: 450.914203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=C(C=C1)F)Cl)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C20H20ClFN4O3S/c1-30-9-8-16(19(28)23-12-6-7-14(22)13(21)10-12)25-20(29)26-11-18(27)24-15-4-2-3-5-17(15)26/h2-7,10,16H,8-9,11H2,1H3,(H,23,28)(H,24,27)(H,25,29)/t16-/m0/s1