3-methyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-methyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-methyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-methyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-methyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+]3CCOCC3)C(=S)NC

InChI

InChI=1S/C20H28N4O2S/c1-15-4-5-16-13-17(19(25)22-18(16)12-15)14-24(20(27)21-2)7-3-6-23-8-10-26-11-9-23/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,21,27)(H,22,25)/p+1