N-[5-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(3-cyclohexylpropanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[5-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-methylphenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(3-cyclohexylpropanoylcarbamothioylamino)-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[5-(3-cyclohexylpropanoylthiocarbamoylamino)-2-methyl-phenyl]cyclopropanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2)NC(=O)C3CC3

InChI

InChI=1S/C21H29N3O2S/c1-14-7-11-17(13-18(14)23-20(26)16-9-10-16)22-21(27)24-19(25)12-8-15-5-3-2-4-6-15/h7,11,13,15-16H,2-6,8-10,12H2,1H3,(H,23,26)(H2,22,24,25,27)