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

Systemtic Name: 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3S2/c1-9-3-6-12-14(7-9)26-17(18-12)20-16(25)19-15(22)11-5-4-10(2)13(8-11)21(23)24/h3-8H,1-2H3,(H2,18,19,20,22,25)