2-ethoxyethyl 2-[1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCOCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C20H27N3O6S/c1-3-27-10-11-29-17(24)13-16-19(26)21-8-9-23(16)20(30)22-18(25)14-6-5-7-15(12-14)28-4-2/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,21,26)(H,22,25,30)