phenethyl 4-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid phenethyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H33N3O6S/c1-17(2)10-14-33-22(30)16-19-23(31)25-12-13-27(19)24(34)26-20(28)8-9-21(29)32-15-11-18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3,(H,25,31)(H,26,28,34)