1-(3,4-dimethylphenyl)-1-[(2-phenylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-1-[(2-phenylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-1-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea Formula: C25H22N4OS MolecularWeight: 426.53338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(=S)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(=S)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4OS/c1-16-12-13-19(14-17(16)2)29(25(26)31)28-24(30)21-15-23(18-8-4-3-5-9-18)27-22-11-7-6-10-20(21)22/h3-15H,1-2H3,(H2,26,31)(H,28,30)