4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O5S2/c1-29-19-5-3-18(4-6-19)9-10-24-23(32)25-11-13-26(14-12-25)33(27,28)20-7-8-21-22(17-20)31-16-2-15-30-21/h3-8,17H,2,9-16H2,1H3,(H,24,32)