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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

InChI

InChI=1S/C18H16N4O5S2/c1-9-11(5-4-6-12(9)22(24)25)16(23)20-17(28)21-18-19-15-13(27-3)7-10(26-2)8-14(15)29-18/h4-8H,1-3H3,(H2,19,20,21,23,28)