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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O4S2/c17-15(22)9-5-6-13(11(7-9)20(23)24)25-8-14(21)19-16-18-10-3-1-2-4-12(10)26-16/h1-7H,8H2,(H2,17,22)(H,18,19,21)