5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: 5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 5-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C22H22N4O6S2 MolecularWeight: 502.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

InChI

InChI=1S/C22H22N4O6S2/c1-13(27)23-14-4-6-18(26(29)30)16(11-14)21(28)24-15-3-5-17-19(12-15)34-22(25-17)33-10-7-20-31-8-2-9-32-20/h3-6,11-12,20H,2,7-10H2,1H3,(H,23,27)(H,24,28)