N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C23H18ClN3OS2 MolecularWeight: 451.99152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C23H18ClN3OS2/c1-13-9-14(2)11-16(10-13)21(28)27-23(29)26-19-12-15(7-8-17(19)24)22-25-18-5-3-4-6-20(18)30-22/h3-12H,1-2H3,(H2,26,27,28,29)