N-[3-(dimethylsulfamoyl)phenyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H26N4O3S2/c1-16(26)17-7-9-19(10-8-17)24-11-13-25(14-12-24)21(29)22-18-5-4-6-20(15-18)30(27,28)23(2)3/h4-10,15H,11-14H2,1-3H3,(H,22,29)