1-[3-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-[3-[(3-cyano-6,7-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[3-[(3-cyano-6,7-dimethyl-2-quinolyl)amino]propyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[3-[(3-cyano-6,7-dimethyl-2-quinolinyl)amino]propyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[3-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[3-[(3-cyano-6,7-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=CC(=C(C=C2C=C1C#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5OS/c1-4-27-10-6-9-25-21(28)24-8-5-7-23-20-18(14-22)13-17-11-15(2)16(3)12-19(17)26-20/h11-13H,4-10H2,1-3H3,(H,23,26)(H2,24,25,28)