pentyl 4-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(pentanoylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid amyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC

InChI

InChI=1S/C18H26N2O3S/c1-3-5-7-13-23-17(22)14-9-11-15(12-10-14)19-18(24)20-16(21)8-6-4-2/h9-12H,3-8,13H2,1-2H3,(H2,19,20,21,24)