4-butoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-butoxy-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-butoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-butoxy-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-butoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-butoxy-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C25H26N2O3S/c1-2-3-14-30-22-10-7-19(8-11-22)24(28)26-21-9-6-18-12-13-27(17-20(18)16-21)25(29)23-5-4-15-31-23/h4-11,15-16H,2-3,12-14,17H2,1H3,(H,26,28)