N-(1,3-benzothiazol-2-ylmethyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S2/c20-15(10-23-12-7-5-11(6-8-12)19(21)22)17-9-16-18-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2,(H,17,20)