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

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

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

Isomeric SMILES

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

InChI

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