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

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[(2-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(2-amoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C25H35N3O5S/c1-2-3-9-16-32-21-13-8-7-12-19(21)23(30)27-25(34)28-15-14-26-24(31)20(28)17-22(29)33-18-10-5-4-6-11-18/h7-8,12-13,18,20H,2-6,9-11,14-17H2,1H3,(H,26,31)(H,27,30,34)