N-[(2-methylphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(o-tolylmethyl)acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-methylbenzyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-11-4-2-3-5-12(11)9-18-16(21)10-24-17-19-14-7-6-13(20(22)23)8-15(14)25-17/h2-8H,9-10H2,1H3,(H,18,21)