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

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[2-(phenylthio)acetyl]amino]benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O2S/c31-26(18-33-23-8-2-1-3-9-23)28-22-12-13-25(24(16-22)27(32)29-21-10-11-21)30-15-14-19-6-4-5-7-20(19)17-30/h1-9,12-13,16,21H,10-11,14-15,17-18H2,(H,28,31)(H,29,32)