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

Systemtic Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-5-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-thiophen-2-ylethyl)amino]benzamide IUPAC Name: N-butan-2-yl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-5-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c1-3-18(2)27-26(31)23-15-21(28-25(30)16-22-9-6-14-32-22)10-11-24(23)29-13-12-19-7-4-5-8-20(19)17-29/h4-11,14-15,18H,3,12-13,16-17H2,1-2H3,(H,27,31)(H,28,30)