N-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)propyl]-N-methyl-4-thiophen-2-yl-butan-1-amine

Systemtic Name: N-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)propyl]-N-methyl-4-thiophen-2-yl-butan-1-amine Openeye Name: N-[3-(5,6-dimethoxyisoindolin-2-yl)propyl]-N-methyl-4-(2-thienyl)butan-1-amine CAS Name: N-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)propyl]-N-methyl-4-thiophen-2-yl-1-butanamine IUPAC Name: N-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)propyl]-N-methyl-4-thiophen-2-ylbutan-1-amine Traditional Name: 3-(5,6-dimethoxyisoindolin-2-yl)propyl-methyl-[4-(2-thienyl)butyl]amine Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CN(CCCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H32N2O2S/c1-23(10-5-4-8-20-9-6-13-27-20)11-7-12-24-16-18-14-21(25-2)22(26-3)15-19(18)17-24/h6,9,13-15H,4-5,7-8,10-12,16-17H2,1-3H3