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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]ethyl]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethyl]thiourea CAS Name: 1-(3-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethyl]thiourea Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-2-28-18-6-7-19-14(11-18)10-15(13-23)20(27-19)24-8-9-25-21(29)26-17-5-3-4-16(22)12-17/h3-7,10-12H,2,8-9H2,1H3,(H,24,27)(H2,25,26,29)