N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]-1,3-benzothiazole-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=NC5=CC=CC=C5S4

InChI

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