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

Systemtic Name: methyl 3-[[2-(2-butoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-butoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-(2-butoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-butoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-butoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-3-4-10-29-16(24)12-15-18(26)21-8-9-23(15)20(30)22-17(25)13-6-5-7-14(11-13)19(27)28-2/h5-7,11,15H,3-4,8-10,12H2,1-2H3,(H,21,26)(H,22,25,30)