N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H28N4O2S/c1-23-11-13-24(14-12-23)19(26)16-9-5-6-10-17(16)21-20(27)22-18(25)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H2,21,22,25,27)