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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H11ClN4O4S2 MolecularWeight: 422.86594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S2/c1-25-11-6-5-8(7-10(11)21(23)24)14(22)19-15(26)20-16-18-13-9(17)3-2-4-12(13)27-16/h2-7H,1H3,(H2,18,19,20,22,26)