propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C23H23N5O5S2 MolecularWeight: 513.58922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5S2/c1-13(2)33-21(30)15-5-7-16-19(12-15)35-23(24-16)26-22(34)25-20(29)14-6-8-17(18(11-14)28(31)32)27-9-3-4-10-27/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,24,25,26,29,34)