N-[[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-methoxy-4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-methoxy-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-methoxy-4-(2-thenoylamino)phenyl]thiocarbamoyl]-piperonylamide Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O5S2/c1-27-16-10-13(5-6-14(16)23-20(26)18-3-2-8-31-18)22-21(30)24-19(25)12-4-7-15-17(9-12)29-11-28-15/h2-10H,11H2,1H3,(H,23,26)(H2,22,24,25,30)