N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S/c1-24-19(28)14-6-5-13(11-15(14)20(24)29)22-21(32)23-18(27)12-4-7-16(17(10-12)26(30)31)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,23,27,32)