N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)azepane-1-carbothioamide

Systemtic Name: N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)azepane-1-carbothioamide Openeye Name: N-[2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl]azepane-1-carbothioamide CAS Name: N-[2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl]-1-azepanecarbothioamide IUPAC Name: N-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)azepane-1-carbothioamide Traditional Name: N-(2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl)azepane-1-carbothioamide Formula: C23H34N4S2 MolecularWeight: 430.67286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)N3CCCCCC3)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)N3CCCCCC3)N4CCCCC4

InChI

InChI=1S/C23H34N4S2/c1-23(2,3)21-24-18-15-19(26-11-9-6-10-12-26)17(16-20(18)29-21)25-22(28)27-13-7-4-5-8-14-27/h15-16H,4-14H2,1-3H3,(H,25,28)