3-phenylpropyl 5-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[2-(cyclohexoxy)-2-oxo-ethyl]-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[2-[2-(cyclohexoxy)-2-keto-ethyl]-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O6S/c31-23(14-7-15-24(32)35-18-8-11-20-9-3-1-4-10-20)29-27(37)30-17-16-28-26(34)22(30)19-25(33)36-21-12-5-2-6-13-21/h1,3-4,9-10,21-22H,2,5-8,11-19H2,(H,28,34)(H,29,31,37)