methyl 4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propoxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propoxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-oxo-2-(2-oxo-2-propoxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 4-[oxo-[[[3-oxo-2-(2-oxo-2-propoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 4-[[3-keto-2-(2-keto-2-propoxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O6S/c1-3-10-28-15(23)11-14-17(25)20-8-9-22(14)19(29)21-16(24)12-4-6-13(7-5-12)18(26)27-2/h4-7,14H,3,8-11H2,1-2H3,(H,20,25)(H,21,24,29)