N-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O4S2/c28-21(17-7-10-19(11-8-17)27(30)31)15-32-24-26-20-12-9-18(14-22(20)33-24)25-23(29)13-6-16-4-2-1-3-5-16/h1-5,7-12,14H,6,13,15H2,(H,25,29)