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

Systemtic Name: propyl 2-[3-oxidanylidene-1-[(2-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: propyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid propyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

InChI

InChI=1S/C20H27N3O5S/c1-3-11-27-16-8-6-5-7-14(16)18(25)22-20(29)23-10-9-21-19(26)15(23)13-17(24)28-12-4-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,21,26)(H,22,25,29)