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

Systemtic Name: ethyl 2-[2-[[2-(4-methylpiperazin-1-yl)carbothioylsulfanyl-2-phenyl-ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanyl-2-phenyl-acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]-1-oxo-2-phenylethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(4-methylpiperazine-1-carbothioyl)thio]-2-phenyl-acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)SC(=S)N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O3S3/c1-3-28-17(26)13-16-14-30-20(22-16)23-19(27)18(15-7-5-4-6-8-15)31-21(29)25-11-9-24(2)10-12-25/h4-8,14,18H,3,9-13H2,1-2H3,(H,22,23,27)