2-morpholin-4-ylethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate

Systemtic Name: 2-morpholin-4-ylethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate Openeye Name: 2-morpholinoethyl 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 3-(butylamino)-4-phenoxy-5-sulfamoylbenzenecarbodithioate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzenecarbodithioic acid 2-morpholinoethyl ester Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=S)SCCN2CCOCC2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=S)SCCN2CCOCC2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S3/c1-2-3-9-25-20-16-18(23(31)32-15-12-26-10-13-29-14-11-26)17-21(33(24,27)28)22(20)30-19-7-5-4-6-8-19/h4-8,16-17,25H,2-3,9-15H2,1H3,(H2,24,27,28)