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

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C26H32N6O4S MolecularWeight: 524.63508

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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)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O4S/c1-18-9-11-31(12-10-18)23-8-3-20(17-24(23)32(35)36)25(34)28-26(37)27-21-4-6-22(7-5-21)30-15-13-29(14-16-30)19(2)33/h3-8,17-18H,9-16H2,1-2H3,(H2,27,28,34,37)