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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,3-dimethyl-butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,3-dimethylbutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3,3-dimethyl-butyramide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-21(2,3)12-20(24)22-13-19(18-9-11-25-15-18)23-10-8-16-6-4-5-7-17(16)14-23/h4-7,9,11,15,19H,8,10,12-14H2,1-3H3,(H,22,24)