2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-thiophen-2-ylethanoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(1-oxo-2-thiophen-2-ylethyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CC2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H31N3O3S/c1-2-33-15-6-13-28-27(32)24-17-22(29-26(31)18-23-9-5-16-34-23)10-11-25(24)30-14-12-20-7-3-4-8-21(20)19-30/h3-5,7-11,16-17H,2,6,12-15,18-19H2,1H3,(H,28,32)(H,29,31)