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

Systemtic Name: methyl 4-[[2-[4-(3-ethoxypropylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(3-ethoxypropylcarbamothioyl)piperazin-1-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(3-ethoxypropylamino)-sulfanylidenemethyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-ethoxypropylcarbamothioyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-ethoxypropylthiocarbamoyl)piperazino]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-3-29-14-4-9-21-20(30)24-12-10-23(11-13-24)18(26)17(25)22-16-7-5-15(6-8-16)19(27)28-2/h5-8H,3-4,9-14H2,1-2H3,(H,21,30)(H,22,25)