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

Systemtic Name: O-[3-(acridin-9-ylamino)-5-azanyl-phenyl] N-(3,5-dimethoxyphenyl)carbamothioate Openeye Name: O-[3-(acridin-9-ylamino)-5-amino-phenyl] N-(3,5-dimethoxyphenyl)carbamothioate CAS Name: N-(3,5-dimethoxyphenyl)carbamothioic acid O-[3-(9-acridinylamino)-5-aminophenyl] ester IUPAC Name: O-[3-(acridin-9-ylamino)-5-aminophenyl] N-(3,5-dimethoxyphenyl)carbamothioate Traditional Name: N-(3,5-dimethoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-phenyl] ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)OC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)OC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N)OC

InChI

InChI=1S/C28H24N4O3S/c1-33-20-13-19(14-21(16-20)34-2)31-28(36)35-22-12-17(29)11-18(15-22)30-27-23-7-3-5-9-25(23)32-26-10-6-4-8-24(26)27/h3-16H,29H2,1-2H3,(H,30,32)(H,31,36)