butyl 4-(decanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(decanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-(decanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxodecylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(decanoylcarbamothioylamino)benzoate Traditional Name: 4-(caprylthiocarbamoylamino)benzoic acid butyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCCCC

InChI

InChI=1S/C22H34N2O3S/c1-3-5-7-8-9-10-11-12-20(25)24-22(28)23-19-15-13-18(14-16-19)21(26)27-17-6-4-2/h13-16H,3-12,17H2,1-2H3,(H2,23,24,25,28)