N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: 3,5-dimethyl-N-[[4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-17-14-18(2)16-19(15-17)22(30)27-24(32)26-20-6-8-21(9-7-20)28-10-12-29(13-11-28)23(31)25(3,4)5/h6-9,14-16H,10-13H2,1-5H3,(H2,26,27,30,32)