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

Systemtic Name: N-[(2S)-1-[(3-methoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-1-[(3-methoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-1-(3-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-1-(3-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: 3-keto-N-[(1S)-1-[(3-methoxyphenyl)carbamoyl]-3-(methylthio)propyl]-2,4-dihydroquinoxaline-1-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H24N4O4S/c1-29-15-7-5-6-14(12-15)22-20(27)17(10-11-30-2)24-21(28)25-13-19(26)23-16-8-3-4-9-18(16)25/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)/t17-/m0/s1