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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[(2-phenylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-26(2)13-12-22-21(28)25-24-20(27)17-14-19(15-8-4-3-5-9-15)23-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H2,22,25,28)