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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C27H26FN3O2S MolecularWeight: 475.577643

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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)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O2S/c1-33-24-12-9-21-15-22(26(32)30-25(21)16-24)18-31(17-20-7-10-23(28)11-8-20)27(34)29-14-13-19-5-3-2-4-6-19/h2-12,15-16H,13-14,17-18H2,1H3,(H,29,34)(H,30,32)