4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-methylsulfanylphenyl)methyleneamino]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-[4-(methylthio)phenyl]methylideneamino]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-[4-(methylthio)benzylidene]amino]benzamide Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H25N3OS/c1-30-24-12-8-19(9-13-24)16-26-27-25(29)22-10-6-20(7-11-22)17-28-15-14-21-4-2-3-5-23(21)18-28/h2-13,16H,14-15,17-18H2,1H3,(H,27,29)/b26-16+