N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-5-bromanyl-furan-2-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-5-bromo-furan-2-carboxamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-5-bromofuran-2-carboxamide Traditional Name: 5-bromo-N-(4-piperonylpiperazine-1-carbothioyl)-2-furamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C18H18BrN3O4S/c19-16-4-3-14(26-16)17(23)20-18(27)22-7-5-21(6-8-22)10-12-1-2-13-15(9-12)25-11-24-13/h1-4,9H,5-8,10-11H2,(H,20,23,27)