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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolyl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCNC1=NC2=C(C=C(C=C2)OCC)C=C1C#N

Isomeric SMILES

CCOCCCNC(=S)NCCNC1=NC2=C(C=C(C=C2)OCC)C=C1C#N

InChI

InChI=1S/C20H27N5O2S/c1-3-26-11-5-8-23-20(28)24-10-9-22-19-16(14-21)12-15-13-17(27-4-2)6-7-18(15)25-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,22,25)(H2,23,24,28)