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

Systemtic Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-3H-isoindol-1-one Openeye Name: 2-[3-[4-(benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one CAS Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one IUPAC Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one Traditional Name: 2-[3-[4-(benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCCC3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCCC3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C26H32N2OS/c1-19-15-22-17-28(26(29)24(22)16-20(19)2)14-8-13-27(3)12-7-6-9-21-18-30-25-11-5-4-10-23(21)25/h4-5,10-11,15-16,18H,6-9,12-14,17H2,1-3H3