1-[[2-(2,5-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2-(2,5-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-ethyl-thiourea Openeye Name: 1-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]-3-ethyl-thiourea CAS Name: 1-[[[2-(2,5-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-3-ethylthiourea IUPAC Name: 1-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]-3-ethyl-thiourea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS/c1-4-22-21(27)25-24-20(26)17-12-19(16-11-13(2)9-10-14(16)3)23-18-8-6-5-7-15(17)18/h5-12H,4H2,1-3H3,(H,24,26)(H2,22,25,27)