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

Systemtic Name: 1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(2-methoxyphenyl)thiourea Formula: C23H25N5OS MolecularWeight: 419.5425

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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=C3OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)NCCCNC(=S)NC3=CC=CC=C3OC)C#N)C

InChI

InChI=1S/C23H25N5OS/c1-15-9-10-17-13-18(14-24)22(28-21(17)16(15)2)25-11-6-12-26-23(30)27-19-7-4-5-8-20(19)29-3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,25,28)(H2,26,27,30)