4-[(E)-3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide

Systemtic Name: 4-[(E)-3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide Openeye Name: 4-[(E)-3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-prop-1-enyl]-N-methyl-benzamide CAS Name: 4-[(E)-3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-methylbenzamide IUPAC Name: 4-[(E)-3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-methylbenzamide Traditional Name: 4-[(E)-3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

InChI

InChI=1S/C26H26N2O4S/c1-27-26(30)18-9-6-17(7-10-18)8-11-24(29)28-13-12-19-15-21(31-2)22(32-3)16-20(19)25(28)23-5-4-14-33-23/h4-11,14-16,25H,12-13H2,1-3H3,(H,27,30)/b11-8+