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

Systemtic Name: N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[3-chloro-4-(4-isovalerylpiperazino)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)CC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H33ClN4O2S/c1-15(2)5-8-20(28)25-22(30)24-17-6-7-19(18(23)14-17)26-9-11-27(12-10-26)21(29)13-16(3)4/h6-7,14-16H,5,8-13H2,1-4H3,(H2,24,25,28,30)