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

Systemtic Name: N'-cycloheptyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-cycloheptyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-cycloheptyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-cycloheptyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-cycloheptyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H31N3O2S/c28-23(24(29)26-21-9-3-1-2-4-10-21)25-15-22(20-12-14-30-17-20)27-13-11-18-7-5-6-8-19(18)16-27/h5-8,12,14,17,21-22H,1-4,9-11,13,15-16H2,(H,25,28)(H,26,29)