ethyl 4-(hexanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(hexanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(hexanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(hexanoylcarbamothioylamino)benzoate Traditional Name: 4-(caproylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-3-5-6-7-14(19)18-16(22)17-13-10-8-12(9-11-13)15(20)21-4-2/h8-11H,3-7H2,1-2H3,(H2,17,18,19,22)