1-[3-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[3-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[3-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]propyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-[3-[(3-cyano-6,8-dimethyl-2-quinolinyl)amino]propyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[3-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]propyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[3-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]propyl]-3-(4-fluorophenyl)thiourea Formula: C22H22FN5S MolecularWeight: 407.506983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCCNC(=S)NC3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCCNC(=S)NC3=CC=C(C=C3)F)C#N)C

InChI

InChI=1S/C22H22FN5S/c1-14-10-15(2)20-16(11-14)12-17(13-24)21(28-20)25-8-3-9-26-22(29)27-19-6-4-18(23)5-7-19/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,28)(H2,26,27,29)