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

Systemtic Name: ethyl 4-[3-heptyl-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-heptyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-anilino-2-oxoethyl)-3-heptyl-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-anilino-2-oxoethyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)-3-heptyl-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S/c1-3-5-6-7-11-18-29-23(19-24(31)28-21-12-9-8-10-13-21)25(32)30(27(29)35)22-16-14-20(15-17-22)26(33)34-4-2/h8-10,12-17,23H,3-7,11,18-19H2,1-2H3,(H,28,31)