methyl 4-[3-(2-ethylhexoxy)propylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[3-(2-ethylhexoxy)propylcarbamothioylamino]benzoate Openeye Name: methyl 4-[3-(2-ethylhexoxy)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(2-ethylhexoxy)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-ethylhexoxy)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(2-ethylhexoxy)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCC(CC)COCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C20H32N2O3S/c1-4-6-8-16(5-2)15-25-14-7-13-21-20(26)22-18-11-9-17(10-12-18)19(23)24-3/h9-12,16H,4-8,13-15H2,1-3H3,(H2,21,22,26)