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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[2-(phenylthio)acetyl]amino]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H33N3O3S/c1-2-35-18-8-16-30-29(34)26-19-24(31-28(33)21-36-25-11-4-3-5-12-25)13-14-27(26)32-17-15-22-9-6-7-10-23(22)20-32/h3-7,9-14,19H,2,8,15-18,20-21H2,1H3,(H,30,34)(H,31,33)