methyl 4-[[2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(3-methoxypropylamino)-sulfanylidenemethyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(3-methoxypropylthiocarbamoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCCNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H26N4O5S/c1-27-13-3-8-20-19(29)23-11-9-22(10-12-23)17(25)16(24)21-15-6-4-14(5-7-15)18(26)28-2/h4-7H,3,8-13H2,1-2H3,(H,20,29)(H,21,24)