2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-[[(4-carbamimidoylphenyl)amino]diazenyl]benzoate

Systemtic Name: 2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-[[(4-carbamimidoylphenyl)amino]diazenyl]benzoate Openeye Name: 2-(2-acridin-9-yl-4-methyl-thiazol-5-yl)ethyl 4-(4-carbamimidoylanilino)azobenzoate CAS Name: 4-(4-carbamimidoylanilino)azobenzoic acid 2-[2-(9-acridinyl)-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-[(4-carbamimidoylanilino)diazenyl]benzoate Traditional Name: 4-(4-amidinoanilino)azobenzoic acid 2-(2-acridin-9-yl-4-methyl-thiazol-5-yl)ethyl ester Formula: C33H27N7O2S MolecularWeight: 585.67818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCOC(=O)C5=CC=C(C=C5)N=NNC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

CC1=C(SC(=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCOC(=O)C5=CC=C(C=C5)N=NNC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C33H27N7O2S/c1-20-29(43-32(36-20)30-25-6-2-4-8-27(25)37-28-9-5-3-7-26(28)30)18-19-42-33(41)22-12-16-24(17-13-22)39-40-38-23-14-10-21(11-15-23)31(34)35/h2-17H,18-19H2,1H3,(H3,34,35)(H,38,39)