N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H33ClN4O2S MolecularWeight: 513.09452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H33ClN4O2S/c1-19(2)24(33)32-16-14-31(15-17-32)23-11-10-21(18-22(23)28)29-26(35)30-25(34)27(12-6-7-13-27)20-8-4-3-5-9-20/h3-5,8-11,18-19H,6-7,12-17H2,1-2H3,(H2,29,30,34,35)