N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H13ClN4O3S2 MolecularWeight: 468.93592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O3S2/c22-15-10-7-13(20-23-16-3-1-2-4-18(16)31-20)11-17(15)24-21(30)25-19(27)12-5-8-14(9-6-12)26(28)29/h1-11H,(H2,24,25,27,30)