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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c1-9-5-6-12-13(7-9)25-16(17-12)19-15(24)18-14(21)10-3-2-4-11(8-10)20(22)23/h2-8H,1H3,(H2,17,18,19,21,24)