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

Systemtic Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(o-tolyl)thiourea CAS Name: 1-[2-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]ethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[2-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]ethyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]ethyl]-3-(o-tolyl)thiourea Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=S)NC3=CC=CC=C3C

InChI

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