ethyl 4-(3-oxidanylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-oxidanylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-hydroxypropylcarbamothioylamino)benzoate CAS Name: 4-[[(3-hydroxypropylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxypropylcarbamothioylamino)benzoate Traditional Name: 4-(3-hydroxypropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCO

InChI

InChI=1S/C13H18N2O3S/c1-2-18-12(17)10-4-6-11(7-5-10)15-13(19)14-8-3-9-16/h4-7,16H,2-3,8-9H2,1H3,(H2,14,15,19)