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

Systemtic Name: 2-phenoxyethyl 2-[3-oxidanylidene-1-[(2-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O6S/c1-2-14-33-21-11-7-6-10-19(21)23(30)27-25(35)28-13-12-26-24(31)20(28)17-22(29)34-16-15-32-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3,(H,26,31)(H,27,30,35)