1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethylthiourea Traditional Name: 1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Formula: C27H35N4O4S+ MolecularWeight: 511.6562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H34N4O4S/c1-33-24-17-21-16-22(26(32)29-23(21)18-25(24)34-2)19-31(11-10-30-12-14-35-15-13-30)27(36)28-9-8-20-6-4-3-5-7-20/h3-7,16-18H,8-15,19H2,1-2H3,(H,28,36)(H,29,32)/p+1