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

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C26H33ClN4O3S MolecularWeight: 517.08322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CC(C)OC1=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/C26H33ClN4O3S/c1-17(2)34-20-9-6-18(7-10-20)23(32)29-25(35)28-19-8-11-22(21(27)16-19)30-12-14-31(15-13-30)24(33)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3,(H2,28,29,32,35)