2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3,4-dimethylphenyl)benzamide

Systemtic Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3,4-dimethylphenyl)benzamide Openeye Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3,4-dimethylphenyl)benzamide CAS Name: 2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3,4-dimethylphenyl)benzamide Traditional Name: 2-(3-cyclohexylpropanoylthiocarbamoylamino)-N-(3,4-dimethylphenyl)benzamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3CCCCC3)C

InChI

InChI=1S/C25H31N3O2S/c1-17-12-14-20(16-18(17)2)26-24(30)21-10-6-7-11-22(21)27-25(31)28-23(29)15-13-19-8-4-3-5-9-19/h6-7,10-12,14,16,19H,3-5,8-9,13,15H2,1-2H3,(H,26,30)(H2,27,28,29,31)