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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-2-21(18-20-12-5-3-4-6-14(12)28-18)16(23)10-27-15-8-7-11(17(19)24)9-13(15)22(25)26/h3-9H,2,10H2,1H3,(H2,19,24)