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

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H29ClN4O3S/c1-24(2,3)22(31)29-13-11-28(12-14-29)20-10-9-17(15-19(20)25)26-23(33)27-21(30)16-32-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3,(H2,26,27,30,33)