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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-p-cumenyl-piperazine-1-carbothioamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O4S2/c1-17(2)18-4-6-19(7-5-18)24-23(31)25-10-12-26(13-11-25)32(27,28)20-8-9-21-22(16-20)30-15-3-14-29-21/h4-9,16-17H,3,10-15H2,1-2H3,(H,24,31)