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

Systemtic Name: methyl 2-[1-[[4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-25-9-10-27-13-5-3-12(4-6-13)16(23)20-18(28)21-8-7-19-17(24)14(21)11-15(22)26-2/h3-6,14H,7-11H2,1-2H3,(H,19,24)(H,20,23,28)