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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-(4-fluorobenzyl)-1-[(2-keto-8-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=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

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