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

Systemtic Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Openeye Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea CAS Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Traditional Name: 1-cyclohexyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea Formula: C25H28FN3O2S MolecularWeight: 453.572123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O2S/c1-2-31-22-12-13-23-17(15-22)14-18(24(30)28-23)16-29(21-6-4-3-5-7-21)25(32)27-20-10-8-19(26)9-11-20/h8-15,21H,2-7,16H2,1H3,(H,27,32)(H,28,30)