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

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C24H29ClN4O2S/c1-16-5-7-17(8-6-16)21(30)27-23(32)26-18-9-10-20(19(25)15-18)28-11-13-29(14-12-28)22(31)24(2,3)4/h5-10,15H,11-14H2,1-4H3,(H2,26,27,30,32)