1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-(4-fluorobenzyl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C26H24FN3O2S MolecularWeight: 461.551063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O2S/c1-32-23-12-9-20-13-21(25(31)29-24(20)14-23)17-30(16-19-7-10-22(27)11-8-19)26(33)28-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,28,33)(H,29,31)