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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methylanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methyl-phenyl]thiocarbamoyl]-piperonylamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O5S/c1-12-9-14(5-6-15(12)23-20(26)17-3-2-8-27-17)22-21(30)24-19(25)13-4-7-16-18(10-13)29-11-28-16/h2-10H,11H2,1H3,(H,23,26)(H2,22,24,25,30)