N-[3-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[3-(3-cyclohexylpropanoylcarbamothioylamino)-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-(3-cyclohexylpropanoylthiocarbamoylamino)-2-methyl-phenyl]cyclopropanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CCC2CCCCC2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCC2CCCCC2)NC(=O)C3CC3

InChI

InChI=1S/C21H29N3O2S/c1-14-17(22-20(26)16-11-12-16)8-5-9-18(14)23-21(27)24-19(25)13-10-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3,(H,22,26)(H2,23,24,25,27)