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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-isopropyl-piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-isopropyl-piperazine-1-carbothioamide Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-13(2)18-17(25)19-6-8-20(9-7-19)26(21,22)14-4-5-15-16(12-14)24-11-3-10-23-15/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,25)