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

Systemtic Name: ethyl 2-[2-[[2-(2-methylpiperidin-1-yl)carbothioylsulfanyl-2-phenyl-ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(2-methylpiperidine-1-carbothioyl)sulfanyl-2-phenyl-acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[[(2-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxo-2-phenylethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(2-methylpiperidine-1-carbothioyl)sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(2-methylpiperidine-1-carbothioyl)thio]-2-phenyl-acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCCC3C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCCCC3C

InChI

InChI=1S/C22H27N3O3S3/c1-3-28-18(26)13-17-14-30-21(23-17)24-20(27)19(16-10-5-4-6-11-16)31-22(29)25-12-8-7-9-15(25)2/h4-6,10-11,14-15,19H,3,7-9,12-13H2,1-2H3,(H,23,24,27)