N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: 2-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H10Cl3N3OS2 MolecularWeight: 430.7591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)Cl

InChI

InChI=1S/C16H10Cl3N3OS2/c1-7-2-3-8(10(18)6-7)14(23)21-15(24)22-16-20-13-11(25-16)5-4-9(17)12(13)19/h2-6H,1H3,(H2,20,21,22,23,24)