N-(2,5-dimethylphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C17H21N3O2S3 MolecularWeight: 395.56254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O2S3/c1-13-5-6-14(2)15(12-13)18-17(23)19-7-9-20(10-8-19)25(21,22)16-4-3-11-24-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)