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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C27H26FN3OS MolecularWeight: 459.578243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3OS/c1-19-7-12-25-22(15-19)16-23(26(32)30-25)18-31(17-21-8-10-24(28)11-9-21)27(33)29-14-13-20-5-3-2-4-6-20/h2-12,15-16H,13-14,17-18H2,1H3,(H,29,33)(H,30,32)