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

Systemtic Name: O-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methyl] N-(3,4,5-trimethoxyphenyl)carbamothioate Openeye Name: O-[[3-(acridin-9-ylamino)-5-amino-phenyl]methyl] N-(3,4,5-trimethoxyphenyl)carbamothioate CAS Name: N-(3,4,5-trimethoxyphenyl)carbamothioic acid O-[[3-(9-acridinylamino)-5-aminophenyl]methyl] ester IUPAC Name: O-[[3-(acridin-9-ylamino)-5-aminophenyl]methyl] N-(3,4,5-trimethoxyphenyl)carbamothioate Traditional Name: N-(3,4,5-trimethoxyphenyl)thiocarbamic acid O-[3-(acridin-9-ylamino)-5-amino-benzyl] ester Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)OCC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)OCC2=CC(=CC(=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)N

InChI

InChI=1S/C30H28N4O4S/c1-35-26-15-21(16-27(36-2)29(26)37-3)33-30(39)38-17-18-12-19(31)14-20(13-18)32-28-22-8-4-6-10-24(22)34-25-11-7-5-9-23(25)28/h4-16H,17,31H2,1-3H3,(H,32,34)(H,33,39)