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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S2/c1-30-18-10-9-13(12-17(18)26(28)29)20(27)25-22(31)23-15-6-4-5-14(11-15)21-24-16-7-2-3-8-19(16)32-21/h2-12H,1H3,(H2,23,25,27,31)