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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)morpholine-4-carbothioamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)morpholine-4-carbothioamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-morpholinecarbothioamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)morpholine-4-carbothioamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)morpholine-4-carbothioamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c17-16(18)8-1-2-9-10(7-8)21-11(13-9)14-12(20)15-3-5-19-6-4-15/h1-2,7H,3-6H2,(H,13,14,20)