2-[3-[2-(4-methoxy-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3H-isoindol-1-one

Systemtic Name: 2-[3-[2-(4-methoxy-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3H-isoindol-1-one Openeye Name: 2-[3-[2-(4-methoxybenzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one CAS Name: 2-[3-[2-(4-methoxy-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one IUPAC Name: 2-[3-[2-(4-methoxy-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one Traditional Name: 2-[3-[2-(4-methoxybenzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CSC4=CC=CC(=C43)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CSC4=CC=CC(=C43)OC)C

InChI

InChI=1S/C25H30N2O2S/c1-17-13-20-15-27(25(28)21(20)14-18(17)2)11-6-10-26(3)12-9-19-16-30-23-8-5-7-22(29-4)24(19)23/h5,7-8,13-14,16H,6,9-12,15H2,1-4H3