ethyl 4-(pentan-3-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(pentan-3-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1-ethylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pentan-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(1-ethylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-4-12(5-2)16-15(20)17-13-9-7-11(8-10-13)14(18)19-6-3/h7-10,12H,4-6H2,1-3H3,(H2,16,17,20)