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

Systemtic Name: N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c1-25-20(29)15-7-6-14(12-16(15)21(25)30)23-22(33)24-19(28)13-5-8-17(18(11-13)27(31)32)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10H2,1H3,(H2,23,24,28,33)