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

Systemtic Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[2-[(3-cyano-6-methoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-methoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Formula: C17H22N5O2S+ MolecularWeight: 360.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c1-23-8-7-21-17(25)20-6-5-19-16-13(11-18)9-12-10-14(24-2)3-4-15(12)22-16/h3-4,9-10H,5-8H2,1-2H3,(H,19,22)(H2,20,21,25)/p+1