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

Systemtic Name: N-[(2S)-1-[(4-ethoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S)-1-[(4-ethoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide CAS Name: N-[(2S)-1-(4-ethoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(2S)-1-(4-ethoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide Traditional Name: 3-keto-N-[(1S)-3-(methylthio)-1-(p-phenetylcarbamoyl)propyl]-2,4-dihydroquinoxaline-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C22H26N4O4S/c1-3-30-16-10-8-15(9-11-16)23-21(28)18(12-13-31-2)25-22(29)26-14-20(27)24-17-6-4-5-7-19(17)26/h4-11,18H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/t18-/m0/s1