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

Systemtic Name: N-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[[2-(butylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-(butylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S2/c1-2-3-10-21-18(25)12-29-20-23-16-9-6-14(11-17(16)30-20)22-19(26)13-4-7-15(8-5-13)24(27)28/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26)