ethyl 2-[3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-2-thioxo-thiazol-4-yl]acetate CAS Name: 2-[3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-2-sulfanylidene-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-yl]acetate Traditional Name: 2-[3-[[4-(4-acetylphenyl)piperazino]methyl]-2-thioxo-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=S)N1CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=S)N1CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H25N3O3S2/c1-3-26-19(25)12-18-13-28-20(27)23(18)14-21-8-10-22(11-9-21)17-6-4-16(5-7-17)15(2)24/h4-7,13H,3,8-12,14H2,1-2H3