4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c19-18(24)11-5-6-15(13(9-11)22(25)26)27-10-16(23)20-8-7-17-21-12-3-1-2-4-14(12)28-17/h1-6,9H,7-8,10H2,(H2,19,24)(H,20,23)