4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methylideneamino]ethyl]-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methylideneamino]ethyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[(2,6-dioxo-4-phenyl-cyclohexyl)methyleneamino]ethyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[2-[(2,6-dioxo-4-phenylcyclohexyl)methylideneamino]ethyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[(2,6-dioxo-4-phenylcyclohexyl)methylideneamino]ethyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-[2-[(2,6-diketo-4-phenyl-cyclohexyl)methyleneamino]ethyl]-N-ethyl-piperazine-1-carbothioamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-2-24-22(29)26-12-10-25(11-13-26)9-8-23-16-19-20(27)14-18(15-21(19)28)17-6-4-3-5-7-17/h3-7,16,18-19H,2,8-15H2,1H3,(H,24,29)