N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C26H31ClN6O4S MolecularWeight: 559.08014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN6O4S/c1-17-8-10-31(11-9-17)23-7-6-19(33(36)37)16-20(23)25(35)29-26(38)28-22-5-3-4-21(27)24(22)32-14-12-30(13-15-32)18(2)34/h3-7,16-17H,8-15H2,1-2H3,(H2,28,29,35,38)