4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(phenylthio)methyl]phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(phenylthio)methyl]phenyl]benzamide Formula: C30H28N2OS MolecularWeight: 464.62112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C30H28N2OS/c33-30(31-28-16-12-24(13-17-28)22-34-29-8-2-1-3-9-29)26-14-10-23(11-15-26)20-32-19-18-25-6-4-5-7-27(25)21-32/h1-17H,18-22H2,(H,31,33)