N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethyl-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethyl-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethyl-benzamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-4-ethylbenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-4-ethyl-benzamide Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O3S/c1-2-12-3-5-13(6-4-12)17(21)20-18(24)19-14-7-8-15-16(11-14)23-10-9-22-15/h3-8,11H,2,9-10H2,1H3,(H2,19,20,21,24)