5,6-dimethyl-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethyl-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethyl-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindolin-1-one CAS Name: 5,6-dimethyl-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethyl-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethyl-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindolin-1-one Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCCC3=CC=CS3)C

InChI

InChI=1S/C22H30N2OS/c1-17-14-19-16-24(22(25)21(19)15-18(17)2)12-7-11-23(3)10-5-4-8-20-9-6-13-26-20/h6,9,13-15H,4-5,7-8,10-12,16H2,1-3H3