phenethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-propoxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-propoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-propoxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid phenethyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O6S/c1-2-13-30-20(28)15-17-21(29)23-11-12-25(17)22(32)24-18(26)8-9-19(27)31-14-10-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,23,29)(H,24,26,32)