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

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

Systemtic Name:4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide
Openeye Name:4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide
CAS Name:4-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]thio]-3-nitrobenzamide
IUPAC Name:4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
Traditional Name:4-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl]thio]-3-nitro-benzamide
Formula: C17H14N4O4S2
MolecularWeight: 402.44746
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H14N4O4S2/c18-17(23)10-5-6-14(12(7-10)21(24)25)26-9-15(22)19-8-16-20-11-3-1-2-4-13(11)27-16/h1-7H,8-9H2,(H2,18,23)(H,19,22)


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