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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-(4-methylpiperidino)-5-nitro-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H34N6O4S MolecularWeight: 538.66166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C27H34N6O4S/c1-3-25(34)32-16-14-30(15-17-32)21-6-4-20(5-7-21)28-27(38)29-26(35)23-18-22(33(36)37)8-9-24(23)31-12-10-19(2)11-13-31/h4-9,18-19H,3,10-17H2,1-2H3,(H2,28,29,35,38)