N-(3-fluoranyl-4-methyl-phenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C16H18FN3O2S3 MolecularWeight: 399.526423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2S3/c1-12-4-5-13(11-14(12)17)18-16(23)19-6-8-20(9-7-19)25(21,22)15-3-2-10-24-15/h2-5,10-11H,6-9H2,1H3,(H,18,23)