N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-4-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-4-methyl-piperazine-1-carbothioamide Openeye Name: N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-4-methyl-piperazine-1-carbothioamide CAS Name: N-[2-tert-butyl-5-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl]-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-[2-tert-butyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]-4-methylpiperazine-1-carbothioamide Traditional Name: N-[2-tert-butyl-5-(4-methylpiperazino)-1,3-benzothiazol-6-yl]-4-methyl-piperazine-1-carbothioamide Formula: C22H34N6S2 MolecularWeight: 446.67556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)N3CCN(CC3)C)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)N3CCN(CC3)C)N4CCN(CC4)C

InChI

InChI=1S/C22H34N6S2/c1-22(2,3)20-23-17-14-18(27-10-6-25(4)7-11-27)16(15-19(17)30-20)24-21(29)28-12-8-26(5)9-13-28/h14-15H,6-13H2,1-5H3,(H,24,29)