4-[[2-(3-methylphenoxy)ethanoylcarbamothioylamino]methyl]benzoate

Systemtic Name: 4-[[2-(3-methylphenoxy)ethanoylcarbamothioylamino]methyl]benzoate Openeye Name: 4-[[[2-(3-methylphenoxy)acetyl]carbamothioylamino]methyl]benzoate CAS Name: 4-[[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(3-methylphenoxy)acetyl]carbamothioylamino]methyl]benzoate Traditional Name: 4-[[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]methyl]benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-12-3-2-4-15(9-12)24-11-16(21)20-18(25)19-10-13-5-7-14(8-6-13)17(22)23/h2-9H,10-11H2,1H3,(H,22,23)(H2,19,20,21,25)/p-1