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

Systemtic Name: pentyl 2-[1-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[(4-isopentyloxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[[4-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-isoamoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C24H35N3O5S MolecularWeight: 477.6168

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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O5S/c1-4-5-6-14-32-21(28)16-20-23(30)25-12-13-27(20)24(33)26-22(29)18-7-9-19(10-8-18)31-15-11-17(2)3/h7-10,17,20H,4-6,11-16H2,1-3H3,(H,25,30)(H,26,29,33)