S-methylsulfanyl 9-(7-phenylmethoxynaphthalen-1-yl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioate

Systemtic Name: S-methylsulfanyl 9-(7-phenylmethoxynaphthalen-1-yl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioate Openeye Name: S-methylsulfanyl 9-[(7-benzyloxy-1-naphthyl)imino]-10-thia-8-azaspiro[5.5]undecane-8-carbothioate CAS Name: 9-[(7-phenylmethoxy-1-naphthalenyl)imino]-10-thia-8-azaspiro[5.5]undecane-8-carbothioic acid S-(methylthio) ester IUPAC Name: S-methylsulfanyl 9-(7-phenylmethoxynaphthalen-1-yl)imino-10-thia-8-azaspiro[5.5]undecane-8-carbothioate Traditional Name: 9-[(7-benzoxy-1-naphthyl)imino]-10-thia-8-azaspiro[5.5]undecane-8-carbothioic acid S-(methylthio) ester Formula: C28H30N2O2S3 MolecularWeight: 522.745

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Descriptors Computed from Structure

Canonical SMILES:

CSSC(=O)N1CC2(CCCCC2)CSC1=NC3=CC=CC4=C3C=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CSSC(=O)N1CC2(CCCCC2)CSC1=NC3=CC=CC4=C3C=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2S3/c1-33-35-27(31)30-19-28(15-6-3-7-16-28)20-34-26(30)29-25-12-8-11-22-13-14-23(17-24(22)25)32-18-21-9-4-2-5-10-21/h2,4-5,8-14,17H,3,6-7,15-16,18-20H2,1H3