N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitro-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-(1,1-diketothiolan-3-yl)-N-methyl-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-21(16-9-10-28(26,27)13-16)19(23)15-7-8-17(18(11-15)22(24)25)20-12-14-5-3-2-4-6-14/h2-8,11,16,20H,9-10,12-13H2,1H3