[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C34H28N4O3S MolecularWeight: 572.67612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

InChI

InChI=1S/C34H28N4O3S/c1-4-28(32(39)38-34-37-26-7-5-6-8-29(26)42-34)41-33(40)24-17-18-25-27(19-24)36-31(23-15-11-21(3)12-16-23)30(35-25)22-13-9-20(2)10-14-22/h5-19,28H,4H2,1-3H3,(H,37,38,39)