N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-methyl-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-methylbutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-methyl-butyramide Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)CC(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N2OS/c1-15(2)11-20(23)21-12-19(18-8-10-24-14-18)22-9-7-16-5-3-4-6-17(16)13-22/h3-6,8,10,14-15,19H,7,9,11-13H2,1-2H3,(H,21,23)