1-(1,3-benzodioxol-5-yl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N3O4S/c26-21(20-2-1-9-30-20)25-8-7-14-3-4-16(10-15(14)12-25)23-22(27)24-17-5-6-18-19(11-17)29-13-28-18/h1-6,9-11H,7-8,12-13H2,(H2,23,24,27)