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

Systemtic Name: N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-ethyl-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:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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