N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide CAS Name: 4-benzoyl-N-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-benzoyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide Traditional Name: 4-benzoyl-N-[[2-(methylthio)-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C23H17N3O2S3 MolecularWeight: 463.59498

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O2S3/c1-30-23-25-18-12-11-17(13-19(18)31-23)24-22(29)26-21(28)16-9-7-15(8-10-16)20(27)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,26,28,29)