N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-piperonylamide Formula: C22H14ClN3O3S2 MolecularWeight: 467.94786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14ClN3O3S2/c23-15-7-6-13(10-14(15)21-25-16-3-1-2-4-19(16)31-21)24-22(30)26-20(27)12-5-8-17-18(9-12)29-11-28-17/h1-10H,11H2,(H2,24,26,27,30)