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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-3-25-15-4-5-16-13(11-15)10-14(12-19)17(23-16)20-6-7-21-18(26)22-8-9-24-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,23)(H2,21,22,26)/p+1