N7,N16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide

Systemtic Name: N7,N16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide Openeye Name: N7,N16-bis(p-tolylsulfonyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide CAS Name: N7,N16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide IUPAC Name: 7-N,16-N-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide Traditional Name: N,N'-ditosyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarbothioamide Formula: C28H40N4O8S4 MolecularWeight: 688.8992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H40N4O8S4/c1-23-3-7-25(8-4-23)43(33,34)29-27(41)31-11-15-37-19-21-39-17-13-32(14-18-40-22-20-38-16-12-31)28(42)30-44(35,36)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3,(H,29,41)(H,30,42)