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

Systemtic Name: 1-tert-butyl-3-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-tert-butyl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-tert-butyl-3-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-tert-butyl-3-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-tert-butyl-3-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-19(2,3)21-18(24)20-15-7-6-13-8-9-22(12-14(13)11-15)17(23)16-5-4-10-25-16/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,21,24)