pentyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[3-oxidanylidene-1-[(4-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-[(4-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-phenethyloxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid amyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O5S/c1-2-3-7-17-35-24(31)19-23-26(33)28-15-16-30(23)27(36)29-25(32)21-10-12-22(13-11-21)34-18-14-20-8-5-4-6-9-20/h4-6,8-13,23H,2-3,7,14-19H2,1H3,(H,28,33)(H,29,32,36)