N-[(5-nitro-1,3-benzothiazol-2-yl)carbamothioyl]morpholine-4-carboxamide

Systemtic Name: N-[(5-nitro-1,3-benzothiazol-2-yl)carbamothioyl]morpholine-4-carboxamide Openeye Name: N-[(5-nitro-1,3-benzothiazol-2-yl)carbamothioyl]morpholine-4-carboxamide CAS Name: N-[[(5-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-morpholinecarboxamide IUPAC Name: N-[(5-nitro-1,3-benzothiazol-2-yl)carbamothioyl]morpholine-4-carboxamide Traditional Name: N-[(5-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]morpholine-4-carboxamide Formula: C13H13N5O4S2 MolecularWeight: 367.40342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4S2/c19-13(17-3-5-22-6-4-17)16-11(23)15-12-14-9-7-8(18(20)21)1-2-10(9)24-12/h1-2,7H,3-6H2,(H2,14,15,16,19,23)