N-[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C28H20N2O2S2 MolecularWeight: 480.6006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O2S2/c31-25(21-13-11-20(12-14-21)19-7-3-1-4-8-19)18-33-28-30-24-16-15-23(17-26(24)34-28)29-27(32)22-9-5-2-6-10-22/h1-17H,18H2,(H,29,32)