pentyl 2-[(4-tert-butylphenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(4-tert-butylphenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(4-tert-butylphenyl)carbamothioylamino]acetate CAS Name: 2-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(4-tert-butylphenyl)carbamothioylamino]acetate Traditional Name: 2-[(4-tert-butylphenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C18H28N2O2S/c1-5-6-7-12-22-16(21)13-19-17(23)20-15-10-8-14(9-11-15)18(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H2,19,20,23)