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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]thiourea Traditional Name: 3-benzyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(4-fluorobenzyl)thiourea Formula: C27H26FN3OS MolecularWeight: 459.578243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3OS/c1-2-19-10-13-25-22(14-19)15-23(26(32)30-25)18-31(17-21-8-11-24(28)12-9-21)27(33)29-16-20-6-4-3-5-7-20/h3-15H,2,16-18H2,1H3,(H,29,33)(H,30,32)