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

Systemtic Name: 5-nitro-2-piperidin-1-yl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-nitro-2-(1-piperidyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(1-piperidinyl)benzamide IUPAC Name: 5-nitro-2-piperidin-1-yl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-nitro-2-piperidino-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H32N6O4S MolecularWeight: 524.63508

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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-])N4CCCCC4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C26H32N6O4S/c1-2-24(33)31-16-14-29(15-17-31)20-8-6-19(7-9-20)27-26(37)28-25(34)22-18-21(32(35)36)10-11-23(22)30-12-4-3-5-13-30/h6-11,18H,2-5,12-17H2,1H3,(H2,27,28,34,37)