1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]thiourea

Systemtic Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethyl]thiourea Openeye Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]thiourea CAS Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]thiourea IUPAC Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]thiourea Traditional Name: 1-(2-chlorophenyl)-3-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethyl]thiourea Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=S)NC3=CC=CC=C3Cl)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=S)NC3=CC=CC=C3Cl)C#N)C

InChI

InChI=1S/C21H20ClN5S/c1-13-9-14(2)16-11-15(12-23)20(26-19(16)10-13)24-7-8-25-21(28)27-18-6-4-3-5-17(18)22/h3-6,9-11H,7-8H2,1-2H3,(H,24,26)(H2,25,27,28)