N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]sulfanyl-propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thio]propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]sulfanylpropanamide Traditional Name: 3-[[3-keto-3-[(6-nitro-1,3-benzothiazol-2-yl)amino]propyl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C20H16N6O6S3 MolecularWeight: 532.57264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O6S3/c27-17(23-19-21-13-3-1-11(25(29)30)9-15(13)34-19)5-7-33-8-6-18(28)24-20-22-14-4-2-12(26(31)32)10-16(14)35-20/h1-4,9-10H,5-8H2,(H,21,23,27)(H,22,24,28)