N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylthio)propionamide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2S/c25-21(11-13-27-20-4-2-1-3-5-20)23-19-9-8-16-10-12-24(15-18(16)14-19)22(26)17-6-7-17/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,23,25)