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

Systemtic Name: methyl 4-[2-[1-(3-chlorophenyl)-3-heptyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(3-chlorophenyl)-3-heptyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(3-chlorophenyl)-3-heptyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(3-chlorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(3-chlorophenyl)-3-heptyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O4S/c1-3-4-5-6-7-15-29-22(24(32)30(26(29)35)21-10-8-9-19(27)16-21)17-23(31)28-20-13-11-18(12-14-20)25(33)34-2/h8-14,16,22H,3-7,15,17H2,1-2H3,(H,28,31)