methyl 4-(hexanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(hexanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(hexanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(hexanoylcarbamothioylamino)benzoate Traditional Name: 4-(caproylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H20N2O3S/c1-3-4-5-6-13(18)17-15(21)16-12-9-7-11(8-10-12)14(19)20-2/h7-10H,3-6H2,1-2H3,(H2,16,17,18,21)