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

Systemtic Name: pentyl 2-[3-oxidanylidene-1-[(3-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[3-oxo-1-[(3-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-oxo-1-[(3-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-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(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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