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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylsulfanylacetyl)amino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[2-(phenylthio)acetyl]amino]-N-(tetrahydrofurfuryl)benzamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H31N3O3S/c33-28(20-36-25-10-2-1-3-11-25)31-23-12-13-27(32-15-14-21-7-4-5-8-22(21)19-32)26(17-23)29(34)30-18-24-9-6-16-35-24/h1-5,7-8,10-13,17,24H,6,9,14-16,18-20H2,(H,30,34)(H,31,33)