1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(3-ethoxypropyl)thiourea Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCCNC1=NC2=C(C=CC(=C2C)C)C=C1C#N

Isomeric SMILES

CCOCCCNC(=S)NCCCNC1=NC2=C(C=CC(=C2C)C)C=C1C#N

InChI

InChI=1S/C21H29N5OS/c1-4-27-12-6-11-25-21(28)24-10-5-9-23-20-18(14-22)13-17-8-7-15(2)16(3)19(17)26-20/h7-8,13H,4-6,9-12H2,1-3H3,(H,23,26)(H2,24,25,28)