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

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)OC

InChI

InChI=1S/C17H14ClN3O3S2/c1-23-11-5-9(6-12(8-11)24-2)15(22)20-16(25)21-17-19-13-4-3-10(18)7-14(13)26-17/h3-8H,1-2H3,(H2,19,20,21,22,25)