3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-[3-(methylamino)propylsulfanyl]-9-oxidanylidene-10H-acridine-4-carboxamide

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-[3-(methylamino)propylsulfanyl]-9-oxidanylidene-10H-acridine-4-carboxamide Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-[3-(methylamino)propylsulfanyl]-9-oxo-10H-acridine-4-carboxamide CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-[3-(methylamino)propylthio]-9-oxo-10H-acridine-4-carboxamide IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-[3-(methylamino)propylsulfanyl]-9-oxo-10H-acridine-4-carboxamide Traditional Name: 9-keto-5-methoxy-1-[3-(methylamino)propylthio]-3-veratryl-10H-acridine-4-carboxamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCSC1=C2C(=C(C(=C1)CC3=CC(=C(C=C3)OC)OC)C(=O)N)NC4=C(C2=O)C=CC=C4OC

Isomeric SMILES

CNCCCSC1=C2C(=C(C(=C1)CC3=CC(=C(C=C3)OC)OC)C(=O)N)NC4=C(C2=O)C=CC=C4OC

InChI

InChI=1S/C28H31N3O5S/c1-30-11-6-12-37-22-15-17(13-16-9-10-19(34-2)21(14-16)36-4)23(28(29)33)26-24(22)27(32)18-7-5-8-20(35-3)25(18)31-26/h5,7-10,14-15,30H,6,11-13H2,1-4H3,(H2,29,33)(H,31,32)