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

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: N-[2-(cyclohexylthio)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H32N2OS/c28-25(26-15-17-29-24-8-2-1-3-9-24)22-12-10-20(11-13-22)18-27-16-14-21-6-4-5-7-23(21)19-27/h4-7,10-13,24H,1-3,8-9,14-19H2,(H,26,28)