1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(2,5-dimethylphenyl)thiourea Formula: C24H27N5S MolecularWeight: 417.56968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCCCNC2=NC3=C(C=CC(=C3C)C)C=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCCCNC2=NC3=C(C=CC(=C3C)C)C=C2C#N

InChI

InChI=1S/C24H27N5S/c1-15-6-7-17(3)21(12-15)28-24(30)27-11-5-10-26-23-20(14-25)13-19-9-8-16(2)18(4)22(19)29-23/h6-9,12-13H,5,10-11H2,1-4H3,(H,26,29)(H2,27,28,30)