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

Systemtic Name: propyl 2-[1-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(3-isopentyloxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[[3-(3-methylbutoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isoamoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-4-11-30-19(26)14-18-21(28)23-9-10-25(18)22(31)24-20(27)16-6-5-7-17(13-16)29-12-8-15(2)3/h5-7,13,15,18H,4,8-12,14H2,1-3H3,(H,23,28)(H,24,27,31)