methyl 4-(butylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(butylcarbamothioylamino)benzoate Openeye Name: methyl 4-(butylcarbamothioylamino)benzoate CAS Name: 4-[[butylamino(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(butylcarbamothioylamino)benzoate Traditional Name: 4-(butylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18N2O2S/c1-3-4-9-14-13(18)15-11-7-5-10(6-8-11)12(16)17-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,18)