octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: octyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid octyl ester IUPAC Name: octyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid octyl ester Formula: C25H36N2O3S3 MolecularWeight: 508.75994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCCCC

Isomeric SMILES

CCCCCCCCSC(=S)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCCCC

InChI

InChI=1S/C25H36N2O3S3/c1-3-5-7-8-9-13-17-32-25(31)20-18-22(27-16-6-4-2)24(23(19-20)33(26,28)29)30-21-14-11-10-12-15-21/h10-12,14-15,18-19,27H,3-9,13,16-17H2,1-2H3,(H2,26,28,29)