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

Systemtic Name: methyl 3-[[2-[2-(2-methoxyethoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-[2-(2-methoxyethoxy)-2-oxo-ethyl]-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-[2-(2-methoxyethoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-methoxyethoxy)-2-oxoethyl]-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[3-keto-2-[2-keto-2-(2-methoxyethoxy)ethyl]piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S/c1-27-8-9-29-15(23)11-14-17(25)20-6-7-22(14)19(30)21-16(24)12-4-3-5-13(10-12)18(26)28-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,20,25)(H,21,24,30)