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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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