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

Systemtic Name: 2-[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C29H18N2O3S2 MolecularWeight: 506.59482

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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)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H18N2O3S2/c32-25(20-12-10-19(11-13-20)18-6-2-1-3-7-18)17-35-29-30-24-15-14-21(16-26(24)36-29)31-27(33)22-8-4-5-9-23(22)28(31)34/h1-16H,17H2