N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-nitro-benzamide Formula: C17H13N5O4S2 MolecularWeight: 415.44622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S2/c1-9(23)18-10-6-7-12-14(8-10)28-17(19-12)21-16(27)20-15(24)11-4-2-3-5-13(11)22(25)26/h2-8H,1H3,(H,18,23)(H2,19,20,21,24,27)