5-(3-nitrophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-furamide Formula: C22H17N5O5S2 MolecularWeight: 495.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S2/c1-2-19(28)25-22-24-15-7-6-13(11-18(15)34-22)23-21(33)26-20(29)17-9-8-16(32-17)12-4-3-5-14(10-12)27(30)31/h3-11H,2H2,1H3,(H,24,25,28)(H2,23,26,29,33)