1-tert-butyl-3-[[2-(2-chlorophenyl)quinolin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[2-(2-chlorophenyl)quinolin-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[2-(2-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]thiourea Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4OS/c1-21(2,3)24-20(28)26-25-19(27)15-12-18(14-9-4-6-10-16(14)22)23-17-11-7-5-8-13(15)17/h4-12H,1-3H3,(H,25,27)(H2,24,26,28)