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

Systemtic Name: methyl 3-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[3-keto-2-[2-keto-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O7S/c1-32-23(31)17-7-5-6-16(14-17)21(29)26-24(35)27-11-10-25-22(30)19(27)15-20(28)34-13-12-33-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H,25,30)(H,26,29,35)