1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenethylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C28H28FN3OS MolecularWeight: 473.604823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H28FN3OS/c1-19-14-20(2)26-23(15-19)16-24(27(33)31-26)18-32(17-22-8-10-25(29)11-9-22)28(34)30-13-12-21-6-4-3-5-7-21/h3-11,14-16H,12-13,17-18H2,1-2H3,(H,30,34)(H,31,33)