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

Systemtic Name: butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Openeye Name: butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(piperonylthiocarbamoylamino)benzoic acid butyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O4S/c1-2-3-10-24-19(23)15-5-7-16(8-6-15)22-20(27)21-12-14-4-9-17-18(11-14)26-13-25-17/h4-9,11H,2-3,10,12-13H2,1H3,(H2,21,22,27)