N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C17H14ClN3OS2 MolecularWeight: 375.89556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)C

InChI

InChI=1S/C17H14ClN3OS2/c1-9-5-10(2)7-11(6-9)15(22)20-16(23)21-17-19-13-4-3-12(18)8-14(13)24-17/h3-8H,1-2H3,(H2,19,20,21,22,23)