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

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(o-tolyl)ethyl]acetamide CAS Name: N-[2-(2-methylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[2-(2-methylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[2-(o-tolyl)ethyl]acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-12-4-2-3-5-13(12)8-9-19-17(22)11-25-18-20-15-7-6-14(21(23)24)10-16(15)26-18/h2-7,10H,8-9,11H2,1H3,(H,19,22)