1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C28H28FN3O3S MolecularWeight: 505.603623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H28FN3O3S/c1-34-25-15-21-14-22(27(33)31-24(21)16-26(25)35-2)18-32(17-20-8-10-23(29)11-9-20)28(36)30-13-12-19-6-4-3-5-7-19/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,30,36)(H,31,33)