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

Systemtic Name: O-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl] N-(3-methoxyphenyl)carbamothioate Openeye Name: O-[[3-(acridin-9-ylamino)-5-amino-phenyl]methyl] N-(3-methoxyphenyl)carbamothioate CAS Name: N-(3-methoxyphenyl)carbamothioic acid O-[[3-(9-acridinylamino)-5-aminophenyl]methyl] ester IUPAC Name: O-[[3-(acridin-9-ylamino)-5-aminophenyl]methyl] N-(3-methoxyphenyl)carbamothioate Traditional Name: N-(3-methoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)OCC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)OCC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

InChI

InChI=1S/C28H24N4O2S/c1-33-22-8-6-7-20(16-22)31-28(35)34-17-18-13-19(29)15-21(14-18)30-27-23-9-2-4-11-25(23)32-26-12-5-3-10-24(26)27/h2-16H,17,29H2,1H3,(H,30,32)(H,31,35)