S-[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl] 4-hexylpiperazine-1-carbothioate

Systemtic Name: S-[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl] 4-hexylpiperazine-1-carbothioate Openeye Name: S-[1-(3-acetamidophenyl)tetrazol-5-yl] 4-hexylpiperazine-1-carbothioate CAS Name: 4-hexyl-1-piperazinecarbothioic acid S-[1-(3-acetamidophenyl)-5-tetrazolyl] ester IUPAC Name: S-[1-(3-acetamidophenyl)tetrazol-5-yl] 4-hexylpiperazine-1-carbothioate Traditional Name: 4-hexylpiperazine-1-carbothioic acid S-[1-(3-acetamidophenyl)tetrazol-5-yl] ester Formula: C20H29N7O2S MolecularWeight: 431.55496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)C(=O)SC2=NN=NN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCCCCCN1CCN(CC1)C(=O)SC2=NN=NN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C20H29N7O2S/c1-3-4-5-6-10-25-11-13-26(14-12-25)20(29)30-19-22-23-24-27(19)18-9-7-8-17(15-18)21-16(2)28/h7-9,15H,3-6,10-14H2,1-2H3,(H,21,28)