4-[2-[[3-(1,3-dithian-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3-(1,3-dithian-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-(1,3-dithian-2-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-(1,3-dithian-2-yl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-(1,3-dithian-2-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-(1,3-dithian-2-yl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H19N3O4S3 MolecularWeight: 449.56686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S3/c20-18(24)12-5-6-16(15(10-12)22(25)26)29-11-17(23)21-14-4-1-3-13(9-14)19-27-7-2-8-28-19/h1,3-6,9-10,19H,2,7-8,11H2,(H2,20,24)(H,21,23)