cyclohexyl 2-[1-[(4-hexoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[(4-hexoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[(4-hexoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[(4-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-hexoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C26H37N3O5S MolecularWeight: 503.65408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C26H37N3O5S/c1-2-3-4-8-17-33-20-13-11-19(12-14-20)24(31)28-26(35)29-16-15-27-25(32)22(29)18-23(30)34-21-9-6-5-7-10-21/h11-14,21-22H,2-10,15-18H2,1H3,(H,27,32)(H,28,31,35)