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

Systemtic Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]phenyl]propanamide CAS Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]phenyl]propionamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c1-2-17(23)19-12-5-3-11(4-6-12)15(22)10-26-18-20-14-8-7-13(21(24)25)9-16(14)27-18/h3-9H,2,10H2,1H3,(H,19,23)