2-(4-nitrophenyl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide CAS Name: 2-(4-nitrophenyl)-N-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-nitrophenyl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S2/c1-2-9-27-10-11-28-20-22-17-8-5-15(13-18(17)29-20)21-19(24)12-14-3-6-16(7-4-14)23(25)26/h2-8,13H,1,9-12H2,(H,21,24)