N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,5-dimethyl-benzamide Formula: C24H26N2OS MolecularWeight: 390.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C24H26N2OS/c1-17-11-18(2)13-22(12-17)24(27)25-14-23(21-8-10-28-16-21)26-9-7-19-5-3-4-6-20(19)15-26/h3-6,8,10-13,16,23H,7,9,14-15H2,1-2H3,(H,25,27)