N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,4,6-trimethyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,4,6-trimethyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,4,6-trimethyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,4,6-trimethylbenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,4,6-trimethylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,4,6-trimethyl-benzamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2OS/c1-17-12-18(2)24(19(3)13-17)25(28)26-14-23(22-9-11-29-16-22)27-10-8-20-6-4-5-7-21(20)15-27/h4-7,9,11-13,16,23H,8,10,14-15H2,1-3H3,(H,26,28)