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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C22H16ClN3OS2 MolecularWeight: 437.96494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H16ClN3OS2/c1-13-10-11-14(16(23)12-13)20(27)26-22(28)25-17-7-3-2-6-15(17)21-24-18-8-4-5-9-19(18)29-21/h2-12H,1H3,(H2,25,26,27,28)