N-(2-methylprop-2-enyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C16H23N3O2S2 MolecularWeight: 353.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O2S2/c1-14(2)12-17-16(22)18-8-10-19(11-9-18)23(20,21)13-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3,(H,17,22)