methyl 3-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25N3O5S/c1-4-14(2)15-8-10-18(11-9-15)30-13-19(26)24-25-22(31)23-20(27)16-6-5-7-17(12-16)21(28)29-3/h5-12,14H,4,13H2,1-3H3,(H,24,26)(H2,23,25,27,31)