N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-tert-butyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-21(2,3)23-20(26)19(25)22-12-18(17-9-11-27-14-17)24-10-8-15-6-4-5-7-16(15)13-24/h4-7,9,11,14,18H,8,10,12-13H2,1-3H3,(H,22,25)(H,23,26)