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

Systemtic Name: 1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(o-tolyl)thiourea CAS Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(o-tolyl)thiourea Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNC(=S)NC3=CC=CC=C3C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNC(=S)NC3=CC=CC=C3C)C#N)C

InChI

InChI=1S/C23H25N5S/c1-15-9-10-18-13-19(14-24)22(28-21(18)17(15)3)25-11-6-12-26-23(29)27-20-8-5-4-7-16(20)2/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,25,28)(H2,26,27,29)