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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C23H17N3O4S2 MolecularWeight: 463.52878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O4S2/c1-28-17-8-7-14(22-24-15-4-2-3-5-20(15)32-22)10-16(17)25-23(31)26-21(27)13-6-9-18-19(11-13)30-12-29-18/h2-11H,12H2,1H3,(H2,25,26,27,31)