4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H25N3O4S2/c1-14(2)13-19-18(26)20-6-8-21(9-7-20)27(22,23)15-4-5-16-17(12-15)25-11-3-10-24-16/h4-5,12H,1,3,6-11,13H2,2H3,(H,19,26)