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

Systemtic Name: O-[3-(acridin-9-ylamino)-5-azanyl-phenyl] N-(3-methoxyphenyl)carbamothioate Openeye Name: O-[3-(acridin-9-ylamino)-5-amino-phenyl] N-(3-methoxyphenyl)carbamothioate CAS Name: N-(3-methoxyphenyl)carbamothioic acid O-[3-(9-acridinylamino)-5-aminophenyl] ester IUPAC Name: O-[3-(acridin-9-ylamino)-5-aminophenyl] N-(3-methoxyphenyl)carbamothioate Traditional Name: N-(3-methoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-phenyl] ester Formula: C27H22N4O2S MolecularWeight: 466.55418

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O2S/c1-32-20-8-6-7-18(15-20)30-27(34)33-21-14-17(28)13-19(16-21)29-26-22-9-2-4-11-24(22)31-25-12-5-3-10-23(25)26/h2-16H,28H2,1H3,(H,29,31)(H,30,34)