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

Systemtic Name: 1-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]cyclopentane-1-carboxamide Openeye Name: 1-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: 1-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]cyclopentane-1-carboxamide Traditional Name: 1-phenyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-2-23(31)30-18-16-29(17-19-30)22-12-10-21(11-13-22)27-25(33)28-24(32)26(14-6-7-15-26)20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-19H2,1H3,(H2,27,28,32,33)