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

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[(2-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid cyclohexyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C23H31N3O5S/c1-2-14-30-19-11-7-6-10-17(19)21(28)25-23(32)26-13-12-24-22(29)18(26)15-20(27)31-16-8-4-3-5-9-16/h6-7,10-11,16,18H,2-5,8-9,12-15H2,1H3,(H,24,29)(H,25,28,32)