N-[6-(propanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-(propanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(propanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(propanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(propionylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H14N4O3S2/c1-2-13(21)19-15(24)17-9-5-6-10-12(8-9)25-16(18-10)20-14(22)11-4-3-7-23-11/h3-8H,2H2,1H3,(H,18,20,22)(H2,17,19,21,24)