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

Systemtic Name: 3-methylbutyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: isopentyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid isoamyl ester Formula: C22H30N2O3S3 MolecularWeight: 466.6802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S3/c1-4-5-12-24-19-14-17(22(28)29-13-11-16(2)3)15-20(30(23,25)26)21(19)27-18-9-7-6-8-10-18/h6-10,14-16,24H,4-5,11-13H2,1-3H3,(H2,23,25,26)