4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[3-(1,3-dithian-2-yl)phenyl]-3-nitro-benzamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S2/c1-21(2)16-8-7-13(12-17(16)22(24)25)18(23)20-15-6-3-5-14(11-15)19-26-9-4-10-27-19/h3,5-8,11-12,19H,4,9-10H2,1-2H3,(H,20,23)