5,5-dimethyl-3-[2-(4-propanethioylpiperazin-1-yl)ethylamino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-[2-(4-propanethioylpiperazin-1-yl)ethylamino]cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-[2-(4-propanethioylpiperazin-1-yl)ethylamino]cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[2-[4-(1-sulfanylidenepropyl)-1-piperazinyl]ethylamino]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-[2-(4-propanethioylpiperazin-1-yl)ethylamino]cyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-[2-(4-propanethioylpiperazino)ethylamino]cyclohex-2-en-1-one Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N1CCN(CC1)CCNC2=CC(=O)CC(C2)(C)C

Isomeric SMILES

CCC(=S)N1CCN(CC1)CCNC2=CC(=O)CC(C2)(C)C

InChI

InChI=1S/C17H29N3OS/c1-4-16(22)20-9-7-19(8-10-20)6-5-18-14-11-15(21)13-17(2,3)12-14/h11,18H,4-10,12-13H2,1-3H3