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

Systemtic Name: 2-ethylsulfanyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-(ethylthio)-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-(ethylthio)-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-4-27-20-8-6-5-7-19(20)21(25)23-18-10-9-16-11-12-24(14-17(16)13-18)22(26)15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,23,25)