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

Systemtic Name: 1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thiourea Openeye Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thiourea CAS Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylthiourea IUPAC Name: 1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylthiourea Traditional Name: 1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-thiourea Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-18-7-8-19-16-20(23(29)26-22(19)15-18)17-28(10-9-27-11-13-30-14-12-27)24(31)25-21-5-3-2-4-6-21/h2-8,15-16H,9-14,17H2,1H3,(H,25,31)(H,26,29)/p+1