N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4(CCCC4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4(CCCC4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O3S/c1-18-10-14-30(15-11-18)22-9-4-19(16-23(22)31(33)34)24(32)29-25(35)28-21-7-5-20(6-8-21)26(17-27)12-2-3-13-26/h4-9,16,18H,2-3,10-15H2,1H3,(H2,28,29,32,35)