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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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