N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N'-(2-methoxy-5-methyl-phenyl)ethanediamide

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-N'-(2-methoxy-5-methyl-phenyl)ethanediamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxy-5-methylphenyl)oxamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxy-5-methylphenyl)oxamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC(C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NC[C@@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O3S/c1-17-9-10-22(31-2)20(14-17)27-25(30)24(29)26-15-21(23-8-5-13-32-23)28-12-11-18-6-3-4-7-19(18)16-28/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,26,29)(H,27,30)/t21-/m0/s1