N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-2-8-24(32)31-19-17-30(18-20-31)23-13-11-22(12-14-23)28-26(34)29-25(33)27(15-6-7-16-27)21-9-4-3-5-10-21/h3-5,9-14H,2,6-8,15-20H2,1H3,(H2,28,29,33,34)