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

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-[(3-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-[(3-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[3-oxo-1-[(3-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5S/c1-2-14-32-20-10-6-9-19(16-20)23(30)27-25(34)28-13-12-26-24(31)21(28)17-22(29)33-15-11-18-7-4-3-5-8-18/h3-10,16,21H,2,11-15,17H2,1H3,(H,26,31)(H,27,30,34)