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

Systemtic Name: N'-(3-acetamidophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]oxamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N4O3S/c1-17(30)27-21-7-4-8-22(13-21)28-25(32)24(31)26-14-23(20-10-12-33-16-20)29-11-9-18-5-2-3-6-19(18)15-29/h2-8,10,12-13,16,23H,9,11,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32)