4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzenecarbothioamide

Systemtic Name: 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzenecarbothioamide Openeye Name: 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzenecarbothioamide CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonylmethyl]benzenecarbothioamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzenecarbothioamide Traditional Name: 4-[(4-methylpiperazino)sulfonylmethyl]thiobenzamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H19N3O2S2/c1-15-6-8-16(9-7-15)20(17,18)10-11-2-4-12(5-3-11)13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)