3-azanyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide

Systemtic Name: 3-azanyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide Openeye Name: 3-amino-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide CAS Name: 3-amino-N-(6-nitro-1,3-benzothiazol-2-yl)-1-pyrrolidinecarbothioamide IUPAC Name: 3-amino-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide Traditional Name: 3-amino-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1N)C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2S2/c13-7-3-4-16(6-7)12(20)15-11-14-9-2-1-8(17(18)19)5-10(9)21-11/h1-2,5,7H,3-4,6,13H2,(H,14,15,20)