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

Systemtic Name: 1-pentan-3-yl-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(1-ethylpropyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-pentan-3-ylurea IUPAC Name: 1-pentan-3-yl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(1-ethylpropyl)-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CS3)C=C1

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=CS3)C=C1

InChI

InChI=1S/C20H25N3O2S/c1-3-16(4-2)21-20(25)22-17-8-7-14-9-10-23(13-15(14)12-17)19(24)18-6-5-11-26-18/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3,(H2,21,22,25)