cyclohexyl 4-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: cyclohexyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: cyclohexyl 4-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(isovalerylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

InChI

InChI=1S/C19H26N2O3S/c1-13(2)12-17(22)21-19(25)20-15-10-8-14(9-11-15)18(23)24-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,22,25)