2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]propionamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H25N3O4S2/c1-5-24(6-2)30(26,27)19-13-16(12-11-14(19)3)22-20(25)15(4)29-21-23-17-9-7-8-10-18(17)28-21/h7-13,15H,5-6H2,1-4H3,(H,22,25)