2-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[(4-chlorophenyl)-phenylmethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C28H17ClN2O2S2 MolecularWeight: 513.02978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)SC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H17ClN2O2S2/c29-19-12-10-18(11-13-19)25(17-6-2-1-3-7-17)35-28-30-23-15-14-20(16-24(23)34-28)31-26(32)21-8-4-5-9-22(21)27(31)33/h1-16,25H