methyl 4-[2-[1-methyl-5-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-methyl-5-oxidanylidene-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1-benzyl-4-piperidyl)-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-methyl-5-oxo-3-[1-(phenylmethyl)-4-piperidinyl]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1-benzylpiperidin-4-yl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(1-benzyl-4-piperidyl)-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N(C1=S)C2CCN(CC2)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C(=O)C(N(C1=S)C2CCN(CC2)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H30N4O4S/c1-28-24(32)22(16-23(31)27-20-10-8-19(9-11-20)25(33)34-2)30(26(28)35)21-12-14-29(15-13-21)17-18-6-4-3-5-7-18/h3-11,21-22H,12-17H2,1-2H3,(H,27,31)