N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-phenyl-acetamide Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c21-14(8-10-4-2-1-3-5-10)18-15(24)19-16-17-12-7-6-11(20(22)23)9-13(12)25-16/h1-7,9H,8H2,(H2,17,18,19,21,24)