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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-12-5-3-4-6-13(12)10-20(2)17(22)11-25-18-19-15-8-7-14(21(23)24)9-16(15)26-18/h3-9H,10-11H2,1-2H3