N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S2/c1-24-11-6-7-12-13(8-11)26-16(17-12)19-15(25)18-14(21)9-2-4-10(5-3-9)20(22)23/h2-8H,1H3,(H2,17,18,19,21,25)