methyl 3-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-isopentyloxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-isoamoxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25N3O5S/c1-14(2)11-12-30-18-9-7-15(8-10-18)20(27)24-25-22(31)23-19(26)16-5-4-6-17(13-16)21(28)29-3/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)(H2,23,25,26,31)