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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O3S2/c26-20(13-8-9-17-18(11-13)28-12-27-17)25-22(29)23-15-5-3-4-14(10-15)21-24-16-6-1-2-7-19(16)30-21/h1-11H,12H2,(H2,23,25,26,29)