ethyl 2-[2-[(2-phenyl-2-piperidin-1-ylcarbothioylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(2-phenyl-2-piperidin-1-ylcarbothioylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-phenyl-2-(piperidine-1-carbothioylsulfanyl)acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-phenyl-2-[[1-piperidinyl(sulfanylidene)methyl]thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-phenyl-2-(piperidine-1-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-phenyl-2-(piperidine-1-carbothioylthio)acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCCC3

InChI

InChI=1S/C21H25N3O3S3/c1-2-27-17(25)13-16-14-29-20(22-16)23-19(26)18(15-9-5-3-6-10-15)30-21(28)24-11-7-4-8-12-24/h3,5-6,9-10,14,18H,2,4,7-8,11-13H2,1H3,(H,22,23,26)