N-(3-methoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O3S2/c1-19-12-5-3-4-11(10-12)14-13(20)15-6-8-16(9-7-15)21(2,17)18/h3-5,10H,6-9H2,1-2H3,(H,14,20)