S-[2-(naphthalen-1-ylmethylsulfanyl)-3-(phenylcarbonyl)indolizin-1-yl] benzenecarbothioate

Systemtic Name: S-[2-(naphthalen-1-ylmethylsulfanyl)-3-(phenylcarbonyl)indolizin-1-yl] benzenecarbothioate Openeye Name: S-[3-benzoyl-2-(1-naphthylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-benzoyl-2-(1-naphthalenylmethylthio)-1-indolizinyl] ester IUPAC Name: S-[3-benzoyl-2-(naphthalen-1-ylmethylsulfanyl)indolizin-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-benzoyl-2-(1-naphthylmethylthio)indolizin-1-yl] ester Formula: C33H23NO2S2 MolecularWeight: 529.67122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC=C3)SC(=O)C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C=CC=C3)SC(=O)C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H23NO2S2/c35-30(24-13-3-1-4-14-24)29-32(37-22-26-18-11-17-23-12-7-8-19-27(23)26)31(28-20-9-10-21-34(28)29)38-33(36)25-15-5-2-6-16-25/h1-21H,22H2