N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-4-methyl-valeramide Formula: C22H33ClN4O2S MolecularWeight: 453.04102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C22H33ClN4O2S/c1-15(2)6-9-19(28)25-21(30)24-16-7-8-18(17(23)14-16)26-10-12-27(13-11-26)20(29)22(3,4)5/h7-8,14-15H,6,9-13H2,1-5H3,(H2,24,25,28,30)