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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S2/c1-13-5-10-18-19(11-13)31-21(24-18)14-6-8-16(9-7-14)23-22(30)25-20(27)15-3-2-4-17(12-15)26(28)29/h2-12H,1H3,(H2,23,25,27,30)