3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[4-(isopropylsulfamoylmethyl)benzyl]propionamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)CCSCC(=O)N

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C16H25N3O4S2/c1-12(2)19-25(22,23)11-14-5-3-13(4-6-14)9-18-16(21)7-8-24-10-15(17)20/h3-6,12,19H,7-11H2,1-2H3,(H2,17,20)(H,18,21)