ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-anilino-2-oxo-ethyl)-3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-5-keto-3-piperonyl-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O6S/c1-2-35-27(34)19-9-11-21(12-10-19)31-26(33)22(15-25(32)29-20-6-4-3-5-7-20)30(28(31)38)16-18-8-13-23-24(14-18)37-17-36-23/h3-14,22H,2,15-17H2,1H3,(H,29,32)