3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid

Systemtic Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid Openeye Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)S)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)S)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S3/c1-2-3-9-19-14-10-12(17(23)24)11-15(25(18,20)21)16(14)22-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,23,24)(H2,18,20,21)