1-[(4-cyclohexyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-cyclohexyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]piperidine-4-carboxamide CAS Name: 1-[(4-cyclohexyl-5-sulfanylidene-1-tetrazolyl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(4-cyclohexyl-5-sulfanylidenetetrazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]isonipecotamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=S)N(N=N2)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=S)N(N=N2)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H30N6OS/c28-20(22-15-17-7-3-1-4-8-17)18-11-13-25(14-12-18)16-26-21(29)27(24-23-26)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,28)