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

Systemtic Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C27H34N6O4S MolecularWeight: 538.66166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O4S/c1-19(2)26(35)32-16-14-30(15-17-32)21-8-6-20(7-9-21)28-27(38)29-25(34)23-18-22(33(36)37)10-11-24(23)31-12-4-3-5-13-31/h6-11,18-19H,3-5,12-17H2,1-2H3,(H2,28,29,34,38)