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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]ethanamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]acetamide CAS Name: N-[3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]acetamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylthiocarbamoylamino)phenyl]acetamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-10(20)17-11-3-2-4-12(7-11)18-16(23)19-13-5-6-14-15(8-13)22-9-21-14/h2-8H,9H2,1H3,(H,17,20)(H2,18,19,23)