1-[2,6-bis(fluoranyl)phenyl]-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-(2,6-difluorophenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(2,6-difluorophenyl)-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(2,6-difluorophenyl)-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(2,6-difluorophenyl)-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C21H17F2N3O2S MolecularWeight: 413.440386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=C(C=CC=C3F)F)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=C(C=CC=C3F)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H17F2N3O2S/c22-16-3-1-4-17(23)19(16)25-21(28)24-15-7-6-13-8-9-26(12-14(13)11-15)20(27)18-5-2-10-29-18/h1-7,10-11H,8-9,12H2,(H2,24,25,28)