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

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-10(22)18-12-4-7-14-15(8-12)27-17(20-14)26-9-16(23)19-11-2-5-13(6-3-11)21(24)25/h2-8H,9H2,1H3,(H,18,22)(H,19,23)