4-[(1R,2R)-2-(phenylsulfonylamino)-1,2-dihydroacenaphthylen-1-yl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(1R,2R)-2-(phenylsulfonylamino)-1,2-dihydroacenaphthylen-1-yl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[(1R,2R)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]piperazine-1-carbothioamide CAS Name: 4-[(1R,2R)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[(1R,2R)-2-(benzenesulfonamido)-1,2-dihydroacenaphthylen-1-yl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[(1R,2R)-2-(benzenesulfonamido)acenaphthen-1-yl]piperazine-1-carbothioamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2S2/c1-2-14-27-26(33)30-17-15-29(16-18-30)25-22-13-7-9-19-8-6-12-21(23(19)22)24(25)28-34(31,32)20-10-4-3-5-11-20/h2-13,24-25,28H,1,14-18H2,(H,27,33)/t24-,25-/m1/s1