1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H29N4O3S+ MolecularWeight: 405.53426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

InChI

InChI=1S/C20H28N4O3S/c1-3-27-17-4-5-18-15(13-17)12-16(19(25)22-18)14-24(20(28)21-2)7-6-23-8-10-26-11-9-23/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,21,28)(H,22,25)/p+1