pentyl 2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(4-bromo-3-methyl-phenyl)carbamothioylamino]acetate CAS Name: 2-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(4-bromo-3-methylphenyl)carbamothioylamino]acetate Traditional Name: 2-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2S/c1-3-4-5-8-20-14(19)10-17-15(21)18-12-6-7-13(16)11(2)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H2,17,18,21)