3-nitro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C22H22N6O4S2 MolecularWeight: 498.57788

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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(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4S2/c1-2-19(29)25-22-24-15-7-6-14(12-18(15)34-22)23-21(33)26-20(30)13-5-8-16(17(11-13)28(31)32)27-9-3-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,25,29)(H2,23,26,30,33)