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

Systemtic Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-ethoxyphenyl)thiourea Openeye Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-ethoxyphenyl)thiourea CAS Name: 1-[2-[(3-cyano-8-methyl-2-quinolin-1-iumyl)amino]ethyl]-3-(2-ethoxyphenyl)thiourea IUPAC Name: 1-[2-[(3-cyano-8-methylquinolin-1-ium-2-yl)amino]ethyl]-3-(2-ethoxyphenyl)thiourea Traditional Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-o-phenetyl-thiourea Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NCCNC2=[NH+]C3=C(C=CC=C3C)C=C2C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NCCNC2=[NH+]C3=C(C=CC=C3C)C=C2C#N

InChI

InChI=1S/C22H23N5OS/c1-3-28-19-10-5-4-9-18(19)26-22(29)25-12-11-24-21-17(14-23)13-16-8-6-7-15(2)20(16)27-21/h4-10,13H,3,11-12H2,1-2H3,(H,24,27)(H2,25,26,29)/p+1