N-[3-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)propoxy]phenyl]ethanamide

Systemtic Name: N-[3-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)propoxy]phenyl]ethanamide Openeye Name: N-[3-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)propoxy]phenyl]acetamide CAS Name: N-[3-[3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]propoxy]phenyl]acetamide IUPAC Name: N-[3-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)propoxy]phenyl]acetamide Traditional Name: N-[3-[3-(1,3-benzodioxol-5-ylthiocarbamoylamino)propoxy]phenyl]acetamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCCCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21N3O4S/c1-13(23)21-14-4-2-5-16(10-14)24-9-3-8-20-19(27)22-15-6-7-17-18(11-15)26-12-25-17/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,21,23)(H2,20,22,27)