N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]phenyl]butyramide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S2/c1-2-3-18(24)20-13-6-4-12(5-7-13)16(23)11-27-19-21-15-9-8-14(22(25)26)10-17(15)28-19/h4-10H,2-3,11H2,1H3,(H,20,24)