N-[[(3-methylphenyl)carbonylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(m-toluoylamino)thiocarbamoyl]cyclohexanecarboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C16H21N3O2S/c1-11-6-5-9-13(10-11)15(21)18-19-16(22)17-14(20)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,21)(H2,17,19,20,22)