4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-[2-[(5-keto-3,3-dimethyl-cyclohexylidene)amino]ethyl]piperazine-1-carbothioamide Formula: C21H29FN4OS MolecularWeight: 404.544563

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)CC(=O)C1)C

InChI

InChI=1S/C21H29FN4OS/c1-21(2)14-18(13-19(27)15-21)23-7-8-25-9-11-26(12-10-25)20(28)24-17-5-3-16(22)4-6-17/h3-6H,7-15H2,1-2H3,(H,24,28)