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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

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