1-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H29N6OS+ MolecularWeight: 413.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N6OS/c1-16-4-2-5-17-14-18(15-22)20(26-19(16)17)23-7-8-25-21(29)24-6-3-9-27-10-12-28-13-11-27/h2,4-5,14H,3,6-13H2,1H3,(H,23,26)(H2,24,25,29)/p+1