4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide

Systemtic Name: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Openeye Name: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide CAS Name: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Traditional Name: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S2/c1-16-4-6-17(7-5-16)13(21)15-12-14-10-3-2-9(18(19)20)8-11(10)22-12/h2-3,8H,4-7H2,1H3,(H,14,15,21)