1-(3-chloranyl-4-methyl-phenyl)-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea Formula: C22H17ClN4OS2 MolecularWeight: 452.97958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Cl

InChI

InChI=1S/C22H17ClN4OS2/c1-13-8-9-14(11-17(13)23)24-22(29)27-26-21(28)16-12-19(20-7-4-10-30-20)25-18-6-3-2-5-15(16)18/h2-12H,1H3,(H,26,28)(H2,24,27,29)