pentyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoate Openeye Name: pentyl 2-[(4-methylbenzoyl)carbamothioylamino]acetate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(4-methylbenzoyl)carbamothioylamino]acetate Traditional Name: 2-(p-toluoylthiocarbamoylamino)acetic acid amyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-3-4-5-10-21-14(19)11-17-16(22)18-15(20)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H2,17,18,20,22)