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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-ethoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-ethoxypropyl)piperazine-1-carbothioamide Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H29N3O5S2/c1-2-25-12-3-7-20-19(28)21-8-10-22(11-9-21)29(23,24)16-5-6-17-18(15-16)27-14-4-13-26-17/h5-6,15H,2-4,7-14H2,1H3,(H,20,28)