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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

Isomeric SMILES

CCOCCCNC(=S)NCCNC1=[NH+]C2=C(C=C(C=C2)OC)C=C1C#N

InChI

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