O-tert-butyl 4-[(1E)-1-(1-oxidanylidene-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]piperazine-1-carbothioate

Systemtic Name: O-tert-butyl 4-[(1E)-1-(1-oxidanylidene-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]piperazine-1-carbothioate Openeye Name: O-tert-butyl 4-[(1E)-1-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]piperazine-1-carbothioate CAS Name: 4-[(1E)-1-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]-1-piperazinecarbothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl 4-[(1E)-1-(1-oxo-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]piperazine-1-carbothioate Traditional Name: 4-[(1E)-1-(1-keto-3,4,5,6-tetrahydronaphthalen-2-ylidene)ethyl]piperazine-1-carbothioic acid O-tert-butyl ester Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC2=C(C1=O)C=CCC2)N3CCN(CC3)C(=S)OC(C)(C)C

Isomeric SMILES

C/C(=C\1/CCC2=C(C1=O)C=CCC2)/N3CCN(CC3)C(=S)OC(C)(C)C

InChI

InChI=1S/C21H30N2O2S/c1-15(17-10-9-16-7-5-6-8-18(16)19(17)24)22-11-13-23(14-12-22)20(26)25-21(2,3)4/h6,8H,5,7,9-14H2,1-4H3/b17-15+