4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-phenethyl-piperazine-1-carbothioamide Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CN2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H34N4OS/c1-18-14-19(2)16-26(15-18)21(27)17-24-10-12-25(13-11-24)22(28)23-9-8-20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,23,28)/t18-,19-/m1/s1