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

Systemtic Name: 2-methoxyethyl 2-[1-[(4-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(4-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[(4-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(p-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OC

InChI

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