4-[2-[3-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[3-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[3-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanylquinoxalin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[3-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]-2-quinoxalinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]quinoxalin-2-yl]thio]acetyl]amino]benzamide Formula: C26H22N6O4S2 MolecularWeight: 546.62068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)N)SCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)N)SCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H22N6O4S2/c27-23(35)15-5-9-17(10-6-15)29-21(33)13-37-25-26(32-20-4-2-1-3-19(20)31-25)38-14-22(34)30-18-11-7-16(8-12-18)24(28)36/h1-12H,13-14H2,(H2,27,35)(H2,28,36)(H,29,33)(H,30,34)