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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC

InChI

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