2-chloranyl-1-[13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadec-5-yl]ethanone

Systemtic Name: 2-chloranyl-1-[13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadec-5-yl]ethanone Openeye Name: 1-(13-benzyl-1,9-dithia-5,13-diazacyclohexadec-5-yl)-2-chloro-ethanone CAS Name: 2-chloro-1-[13-(phenylmethyl)-1,9-dithia-5,13-diazacyclohexadec-5-yl]ethanone IUPAC Name: 1-(13-benzyl-1,9-dithia-5,13-diazacyclohexadec-5-yl)-2-chloroethanone Traditional Name: 1-(13-benzyl-1,9-dithia-5,13-diazacyclohexadec-5-yl)-2-chloro-ethanone Formula: C21H33ClN2OS2 MolecularWeight: 429.08252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCSCCCN(CCCSC1)C(=O)CCl)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCCSCCCN(CCCSC1)C(=O)CCl)CC2=CC=CC=C2

InChI

InChI=1S/C21H33ClN2OS2/c22-18-21(25)24-12-6-16-26-14-4-10-23(11-5-15-27-17-7-13-24)19-20-8-2-1-3-9-20/h1-3,8-9H,4-7,10-19H2