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

Systemtic Name: methyl 4-[2-[3-heptyl-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-heptyl-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-benzyl-3-heptyl-5-keto-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H33N3O4S/c1-3-4-5-6-10-17-29-23(25(32)30(27(29)35)19-20-11-8-7-9-12-20)18-24(31)28-22-15-13-21(14-16-22)26(33)34-2/h7-9,11-16,23H,3-6,10,17-19H2,1-2H3,(H,28,31)