N-(2-azanyl-2-oxidanylidene-ethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-(1,3-benzothiazol-2-ylthio)-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)SC3=C(C=C(C=C3)C(=O)NCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)NCC(=O)N)[N+](=O)[O-]

InChI

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