1-[3-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea

Systemtic Name: 1-[3-[(3-cyano-6-ethoxy-quinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Openeye Name: 1-[3-[(3-cyano-6-ethoxy-2-quinolyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea CAS Name: 1-[3-[(3-cyano-6-ethoxy-2-quinolinyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-[3-[(3-cyano-6-ethoxyquinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Traditional Name: 1-[3-[(3-cyano-6-ethoxy-2-quinolyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NCCCN(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NCCCN(C)C

InChI

InChI=1S/C21H30N6OS/c1-4-28-18-7-8-19-16(14-18)13-17(15-22)20(26-19)23-9-5-10-24-21(29)25-11-6-12-27(2)3/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,26)(H2,24,25,29)