O-[3-(acridin-9-ylamino)-5-azanyl-phenyl] N-(3,4,5-trimethoxyphenyl)carbamothioate

Systemtic Name: O-[3-(acridin-9-ylamino)-5-azanyl-phenyl] N-(3,4,5-trimethoxyphenyl)carbamothioate Openeye Name: O-[3-(acridin-9-ylamino)-5-amino-phenyl] N-(3,4,5-trimethoxyphenyl)carbamothioate CAS Name: N-(3,4,5-trimethoxyphenyl)carbamothioic acid O-[3-(9-acridinylamino)-5-aminophenyl] ester IUPAC Name: O-[3-(acridin-9-ylamino)-5-aminophenyl] N-(3,4,5-trimethoxyphenyl)carbamothioate Traditional Name: N-(3,4,5-trimethoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-phenyl] ester Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)OC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)OC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

InChI

InChI=1S/C29H26N4O4S/c1-34-25-15-19(16-26(35-2)28(25)36-3)32-29(38)37-20-13-17(30)12-18(14-20)31-27-21-8-4-6-10-23(21)33-24-11-7-5-9-22(24)27/h4-16H,30H2,1-3H3,(H,31,33)(H,32,38)