N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c21-16(11-24-13-7-5-12(6-8-13)20(22)23)18-10-9-17-19-14-3-1-2-4-15(14)25-17/h1-8H,9-11H2,(H,18,21)