ethyl 4-[5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-sulfanylidene-3-(thiophen-2-ylcarbonylamino)imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-sulfanylidene-3-(thiophen-2-ylcarbonylamino)imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-anilino-2-oxo-ethyl)-5-oxo-3-(thiophene-2-carbonylamino)-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-5-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-5-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)imidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-5-keto-3-(2-thenoylamino)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=CS3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=CS3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O5S2/c1-2-34-24(33)16-10-12-18(13-11-16)28-23(32)19(15-21(30)26-17-7-4-3-5-8-17)29(25(28)35)27-22(31)20-9-6-14-36-20/h3-14,19H,2,15H2,1H3,(H,26,30)(H,27,31)