[2-nitro-4-(propan-2-ylsulfamoyl)phenyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-nitro-4-(propan-2-ylsulfamoyl)phenyl] N,N-diethylcarbamodithioate Openeye Name: [4-(isopropylsulfamoyl)-2-nitro-phenyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-nitro-4-(propan-2-ylsulfamoyl)phenyl] ester IUPAC Name: [2-nitro-4-(propan-2-ylsulfamoyl)phenyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [4-(isopropylsulfamoyl)-2-nitro-phenyl] ester Formula: C14H21N3O4S3 MolecularWeight: 391.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S3/c1-5-16(6-2)14(22)23-13-8-7-11(9-12(13)17(18)19)24(20,21)15-10(3)4/h7-10,15H,5-6H2,1-4H3