propan-2-yl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-11(2)24-17(21)12-3-5-13(6-4-12)19-18(25)20-14-7-8-15-16(9-14)23-10-22-15/h3-9,11H,10H2,1-2H3,(H2,19,20,25)