N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-ethylsulfanyl-benzamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-ethylsulfanyl-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethylsulfanyl-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(ethylthio)benzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethylsulfanylbenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(ethylthio)benzamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2

InChI

InChI=1S/C22H24N2O2S/c1-2-27-20-6-4-3-5-19(20)21(25)23-18-10-9-15-11-12-24(14-17(15)13-18)22(26)16-7-8-16/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,25)