2-methoxyethyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-(2-naphthalen-1-ylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[[2-(1-naphthyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[(2-naphthalen-1-ylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(1-naphthyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O5S/c1-29-11-12-30-20(27)14-18-21(28)23-9-10-25(18)22(31)24-19(26)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,18H,9-14H2,1H3,(H,23,28)(H,24,26,31)