N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C27H33ClN6O4S MolecularWeight: 573.10672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H33ClN6O4S/c1-18(2)26(36)33-15-13-32(14-16-33)24-21(28)7-6-8-22(24)29-27(39)30-25(35)20-17-19(34(37)38)9-10-23(20)31-11-4-3-5-12-31/h6-10,17-18H,3-5,11-16H2,1-2H3,(H2,29,30,35,39)