N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-15-10-12-24(13-11-15)20(26)17-8-5-9-18(14-17)22-21(27)23-19(25)16-6-3-2-4-7-16/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,23,25,27)