4-[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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