2-(3-cyclohexylpropanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-18(20-12-6-3-7-13-20)26-24(30)21-14-8-9-15-22(21)27-25(31)28-23(29)17-16-19-10-4-2-5-11-19/h3,6-9,12-15,18-19H,2,4-5,10-11,16-17H2,1H3,(H,26,30)(H2,27,28,29,31)