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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-(2-thiophen-2-ylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-[[2-(2-thienyl)acetyl]amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)-5-[[2-(2-thienyl)acetyl]amino]benzamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C28H32N4O3S/c33-27(19-24-6-3-17-36-24)30-23-7-8-26(32-11-9-21-4-1-2-5-22(21)20-32)25(18-23)28(34)29-10-12-31-13-15-35-16-14-31/h1-8,17-18H,9-16,19-20H2,(H,29,34)(H,30,33)