1-[2-[(3-cyano-6-methoxy-quinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-6-methoxy-quinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-methoxy-2-quinolyl)amino]ethyl]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[2-[(3-cyano-6-methoxy-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-methoxy-2-quinolyl)amino]ethyl]-3-(3-morpholinopropyl)thiourea Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=S)NCCCN3CCOCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCNC(=S)NCCCN3CCOCC3

InChI

InChI=1S/C21H28N6O2S/c1-28-18-3-4-19-16(14-18)13-17(15-22)20(26-19)23-6-7-25-21(30)24-5-2-8-27-9-11-29-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,30)