ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]acetic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H21N3O4S/c1-3-23-14(20)10-13-15(21)17-7-8-19(13)16(24)18-11-5-4-6-12(9-11)22-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,17,21)(H,18,24)