4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethylsulfanylphenyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethylsulfanylphenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethylsulfanylphenyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(ethylthio)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethylsulfanylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(ethylthio)phenyl]benzamide Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2OS/c1-2-29-24-10-6-5-9-23(24)26-25(28)21-13-11-19(12-14-21)17-27-16-15-20-7-3-4-8-22(20)18-27/h3-14H,2,15-18H2,1H3,(H,26,28)