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

Systemtic Name: 3-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c27-18(24-20(31)21-13-5-6-14-15(11-13)23-19(28)22-14)12-4-7-16(17(10-12)26(29)30)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2,(H2,22,23,28)(H2,21,24,27,31)