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

Systemtic Name: methyl 4-[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-heptyl-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-heptyl-5-keto-1-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H33N3O5S/c1-4-5-6-7-8-17-29-23(18-24(31)28-20-11-9-19(10-12-20)26(33)35-3)25(32)30(27(29)36)21-13-15-22(34-2)16-14-21/h9-16,23H,4-8,17-18H2,1-3H3,(H,28,31)