N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C26H21N5O4S2 MolecularWeight: 531.60604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N5O4S2/c32-24(29-26-28-20-6-2-4-8-22(20)37-26)16-36-23-15-30(21-7-3-1-5-19(21)23)14-13-27-25(33)17-9-11-18(12-10-17)31(34)35/h1-12,15H,13-14,16H2,(H,27,33)(H,28,29,32)