1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethyl-quinolin-2-yl)amino]propyl]thiourea

Systemtic Name: 1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethyl-quinolin-2-yl)amino]propyl]thiourea Openeye Name: 1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethyl-2-quinolyl)amino]propyl]thiourea CAS Name: 1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethyl-2-quinolinyl)amino]propyl]thiourea IUPAC Name: 1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethylquinolin-2-yl)amino]propyl]thiourea Traditional Name: 1-(2-chlorophenyl)-3-[3-[(3-cyano-6-ethyl-2-quinolyl)amino]propyl]thiourea Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN5S/c1-2-15-8-9-19-16(12-15)13-17(14-24)21(27-19)25-10-5-11-26-22(29)28-20-7-4-3-6-18(20)23/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,25,27)(H2,26,28,29)