1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NCCCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NCCCOC

InChI

InChI=1S/C19H25N5O2S/c1-3-26-16-5-6-17-14(12-16)11-15(13-20)18(24-17)21-8-9-23-19(27)22-7-4-10-25-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,24)(H2,22,23,27)/p+1