2-ethoxyethyl 2-[3-oxidanylidene-1-[(2-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[3-oxidanylidene-1-[(2-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

InChI

InChI=1S/C21H29N3O6S/c1-3-11-29-17-8-6-5-7-15(17)19(26)23-21(31)24-10-9-22-20(27)16(24)14-18(25)30-13-12-28-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,27)(H,23,26,31)