N-butan-2-yl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Openeye Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Traditional Name: 2-(3-cyclohexylpropanoylthiocarbamoylamino)-N-sec-butyl-benzamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-3-15(2)22-20(26)17-11-7-8-12-18(17)23-21(27)24-19(25)14-13-16-9-5-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,22,26)(H2,23,24,25,27)