[2-(diethylamino)-2-oxidanylidene-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S3/c1-4-7-13-25-19-14-17(23(31)32-16-21(27)26(5-2)6-3)15-20(33(24,28)29)22(19)30-18-11-9-8-10-12-18/h8-12,14-15,25H,4-7,13,16H2,1-3H3,(H2,24,28,29)