4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)-ethyl-amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)-ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)-ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)-ethyl-amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H15ClN4O4S2 MolecularWeight: 450.9191

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S2/c1-2-22(18-21-12-8-11(19)4-6-14(12)29-18)16(24)9-28-15-5-3-10(17(20)25)7-13(15)23(26)27/h3-8H,2,9H2,1H3,(H2,20,25)