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

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-piperonylamide Formula: C16H10ClN3O3S2 MolecularWeight: 391.8519

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C16H10ClN3O3S2/c17-9-2-3-10-13(6-9)25-16(18-10)20-15(24)19-14(21)8-1-4-11-12(5-8)23-7-22-11/h1-6H,7H2,(H2,18,19,20,21,24)