4-[[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]methyl]-N-phenyl-piperidine-1-carbothioamide

Systemtic Name: 4-[[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]methyl]-N-phenyl-piperidine-1-carbothioamide Openeye Name: 4-[[(3,3-dimethyl-5-oxo-cyclohexen-1-yl)amino]methyl]-N-phenyl-piperidine-1-carbothioamide CAS Name: 4-[[(3,3-dimethyl-5-oxo-1-cyclohexenyl)amino]methyl]-N-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-[[(3,3-dimethyl-5-oxocyclohexen-1-yl)amino]methyl]-N-phenylpiperidine-1-carbothioamide Traditional Name: 4-[[(5-keto-3,3-dimethyl-cyclohexen-1-yl)amino]methyl]-N-phenyl-piperidine-1-carbothioamide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=C1)NCC2CCN(CC2)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)CC(=C1)NCC2CCN(CC2)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3OS/c1-21(2)13-18(12-19(25)14-21)22-15-16-8-10-24(11-9-16)20(26)23-17-6-4-3-5-7-17/h3-7,13,16,22H,8-12,14-15H2,1-2H3,(H,23,26)