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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-1-(2-thienyl)ethylideneamino]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-1-(2-thienyl)ethylideneamino]benzamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2)C4=CC=CS4

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2)/C4=CC=CS4

InChI

InChI=1S/C23H23N3OS/c1-17(22-7-4-14-28-22)24-25-23(27)20-10-8-18(9-11-20)15-26-13-12-19-5-2-3-6-21(19)16-26/h2-11,14H,12-13,15-16H2,1H3,(H,25,27)/b24-17+