N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[4-(piperonylthiocarbamoylamino)phenyl]-2-furamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H17N3O4S/c24-19(17-2-1-9-25-17)22-14-4-6-15(7-5-14)23-20(28)21-11-13-3-8-16-18(10-13)27-12-26-16/h1-10H,11-12H2,(H,22,24)(H2,21,23,28)