butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Openeye Name: butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzoic acid butyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O4S/c1-2-3-10-23-18(22)13-4-6-14(7-5-13)20-19(26)21-15-8-9-16-17(11-15)25-12-24-16/h4-9,11H,2-3,10,12H2,1H3,(H2,20,21,26)