1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Formula: C20H28N5OS+ MolecularWeight: 386.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCNC1=[NH+]C2=CC(=CC(=C2C=C1C#N)C)C

Isomeric SMILES

CCOCCCNC(=S)NCCNC1=[NH+]C2=CC(=CC(=C2C=C1C#N)C)C

InChI

InChI=1S/C20H27N5OS/c1-4-26-9-5-6-23-20(27)24-8-7-22-19-16(13-21)12-17-15(3)10-14(2)11-18(17)25-19/h10-12H,4-9H2,1-3H3,(H,22,25)(H2,23,24,27)/p+1