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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methoxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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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=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O6S/c1-27-17-10-13(5-6-14(17)23-20(26)16-3-2-8-28-16)22-21(31)24-19(25)12-4-7-15-18(9-12)30-11-29-15/h2-10H,11H2,1H3,(H,23,26)(H2,22,24,25,31)