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

Systemtic Name: 3-phenylpropyl 4-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H35N3O6S/c1-18(2)12-16-34-23(31)17-20-24(32)26-13-14-28(20)25(35)27-21(29)10-11-22(30)33-15-6-9-19-7-4-3-5-8-19/h3-5,7-8,18,20H,6,9-17H2,1-2H3,(H,26,32)(H,27,29,35)