N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-2,3-bis(oxidanylidene)-4H-quinoxaline-6-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-2,3-bis(oxidanylidene)-4H-quinoxaline-6-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-ethyl-2,3-diketo-4H-quinoxaline-6-carboxamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3)NC(=O)C1=O

InChI

InChI=1S/C22H23N5O3S/c1-3-27-18-9-8-13(12-17(18)26-21(29)22(27)30)20(28)25-16(10-11-31-2)19-23-14-6-4-5-7-15(14)24-19/h4-9,12,16H,3,10-11H2,1-2H3,(H,23,24)(H,25,28)(H,26,29)/t16-/m0/s1