2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)sulfanyl]phenyl]ethanamide

Systemtic Name: 2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)sulfanyl]phenyl]ethanamide Openeye Name: 2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)sulfanyl]phenyl]acetamide CAS Name: 2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)thio]phenyl]acetamide IUPAC Name: 2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)sulfanyl]phenyl]acetamide Traditional Name: 2-(diethylamino)-N-[2-[(6-nitro-1,3-benzodioxol-5-yl)thio]phenyl]acetamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=CC=CC=C1SC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCN(CC)CC(=O)NC1=CC=CC=C1SC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H21N3O5S/c1-3-21(4-2)11-19(23)20-13-7-5-6-8-17(13)28-18-10-16-15(26-12-27-16)9-14(18)22(24)25/h5-10H,3-4,11-12H2,1-2H3,(H,20,23)