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

Systemtic Name: O-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl] N-(3,5-dimethoxyphenyl)carbamothioate Openeye Name: O-[[3-(acridin-9-ylamino)-5-amino-phenyl]methyl] N-(3,5-dimethoxyphenyl)carbamothioate CAS Name: N-(3,5-dimethoxyphenyl)carbamothioic acid O-[[3-(9-acridinylamino)-5-aminophenyl]methyl] ester IUPAC Name: O-[[3-(acridin-9-ylamino)-5-aminophenyl]methyl] N-(3,5-dimethoxyphenyl)carbamothioate Traditional Name: N-(3,5-dimethoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C29H26N4O3S MolecularWeight: 510.60674

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O3S/c1-34-22-14-21(15-23(16-22)35-2)32-29(37)36-17-18-11-19(30)13-20(12-18)31-28-24-7-3-5-9-26(24)33-27-10-6-4-8-25(27)28/h3-16H,17,30H2,1-2H3,(H,31,33)(H,32,37)