3-(3-cyclohexylpropanoylcarbamothioylamino)-N,N-diethyl-benzamide

Systemtic Name: 3-(3-cyclohexylpropanoylcarbamothioylamino)-N,N-diethyl-benzamide Openeye Name: 3-(3-cyclohexylpropanoylcarbamothioylamino)-N,N-diethyl-benzamide CAS Name: 3-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-(3-cyclohexylpropanoylcarbamothioylamino)-N,N-diethylbenzamide Traditional Name: 3-(3-cyclohexylpropanoylthiocarbamoylamino)-N,N-diethyl-benzamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-3-24(4-2)20(26)17-11-8-12-18(15-17)22-21(27)23-19(25)14-13-16-9-6-5-7-10-16/h8,11-12,15-16H,3-7,9-10,13-14H2,1-2H3,(H2,22,23,25,27)