1-(4-butoxyphenyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(4-butoxyphenyl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S/c1-2-3-14-31-22-10-8-20(9-11-22)26-25(30)27-21-7-6-18-12-13-28(17-19(18)16-21)24(29)23-5-4-15-32-23/h4-11,15-16H,2-3,12-14,17H2,1H3,(H2,26,27,30)