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

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CCC1=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/C25H31ClN4O2S/c1-5-17-6-8-18(9-7-17)22(31)28-24(33)27-19-10-11-21(20(26)16-19)29-12-14-30(15-13-29)23(32)25(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H2,27,28,31,33)