cyclohexyl 2-[1-[(2-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[(2-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[(2-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[(2-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C22H29N3O5S/c1-2-29-18-11-7-6-10-16(18)20(27)24-22(31)25-13-12-23-21(28)17(25)14-19(26)30-15-8-4-3-5-9-15/h6-7,10-11,15,17H,2-5,8-9,12-14H2,1H3,(H,23,28)(H,24,27,31)