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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbothioamide Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S2/c1-2-6-18-17(25)19-7-9-20(10-8-19)26(21,22)14-4-5-15-16(13-14)24-12-3-11-23-15/h2,4-5,13H,1,3,6-12H2,(H,18,25)