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

Systemtic Name: N-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-3-keto-2,4-dihydroquinoxaline-1-carboxamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32)F

InChI

InChI=1S/C21H23FN4O3S/c1-13-7-8-14(11-15(13)22)23-20(28)17(9-10-30-2)25-21(29)26-12-19(27)24-16-5-3-4-6-18(16)26/h3-8,11,17H,9-10,12H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/t17-/m0/s1