2-methoxyethyl 2-[1-[[4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[[4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[4-(2-methoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

COCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C20H27N3O7S/c1-27-9-11-29-15-5-3-14(4-6-15)18(25)22-20(31)23-8-7-21-19(26)16(23)13-17(24)30-12-10-28-2/h3-6,16H,7-13H2,1-2H3,(H,21,26)(H,22,25,31)