4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(2-furylmethylsulfanyl)ethyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(2-furanylmethylthio)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(2-furfurylthio)ethyl]benzamide Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C24H26N2O2S/c27-24(25-12-15-29-18-23-6-3-14-28-23)21-9-7-19(8-10-21)16-26-13-11-20-4-1-2-5-22(20)17-26/h1-10,14H,11-13,15-18H2,(H,25,27)