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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(4-fluorobenzyl)-3-phenethyl-thiourea Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H28FN3O2S/c1-2-34-25-12-13-26-22(17-25)16-23(27(33)31-26)19-32(18-21-8-10-24(29)11-9-21)28(35)30-15-14-20-6-4-3-5-7-20/h3-13,16-17H,2,14-15,18-19H2,1H3,(H,30,35)(H,31,33)