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

Systemtic Name: methyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: methyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid methyl ester IUPAC Name: methyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid methyl ester Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S3/c1-3-4-10-20-15-11-13(18(24)25-2)12-16(26(19,21)22)17(15)23-14-8-6-5-7-9-14/h5-9,11-12,20H,3-4,10H2,1-2H3,(H2,19,21,22)