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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c22-17(19-10-4-7-13-5-2-1-3-6-13)12-25-18-20-15-9-8-14(21(23)24)11-16(15)26-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,19,22)