1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-isobutyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-isobutyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C23H26FN3OS MolecularWeight: 411.535443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC(C)C

InChI

InChI=1S/C23H26FN3OS/c1-15(2)12-25-23(29)27(13-17-5-7-20(24)8-6-17)14-19-11-18-10-16(3)4-9-21(18)26-22(19)28/h4-11,15H,12-14H2,1-3H3,(H,25,29)(H,26,28)