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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-benzamide Formula: C16H11Cl2N3OS2 MolecularWeight: 396.31404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2N3OS2/c1-8-3-2-4-9(7-8)14(22)20-15(23)21-16-19-13-11(24-16)6-5-10(17)12(13)18/h2-7H,1H3,(H2,19,20,21,22,23)