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

Systemtic Name: 1-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3-ethyl-thiourea Openeye Name: 1-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3-ethyl-thiourea CAS Name: 1-[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propyl]-3-ethylthiourea IUPAC Name: 1-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]-3-ethylthiourea Traditional Name: 1-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]-3-ethyl-thiourea Formula: C18H24N5OS+ MolecularWeight: 358.48106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)OCC)C=C1C#N

Isomeric SMILES

CCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)OCC)C=C1C#N

InChI

InChI=1S/C18H23N5OS/c1-3-20-18(25)22-9-5-8-21-17-14(12-19)10-13-11-15(24-4-2)6-7-16(13)23-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,21,23)(H2,20,22,25)/p+1