methyl 3-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-isobutoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-isobutoxybenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-13(2)12-29-17-9-7-14(8-10-17)19(26)23-24-21(30)22-18(25)15-5-4-6-16(11-15)20(27)28-3/h4-11,13H,12H2,1-3H3,(H,23,26)(H2,22,24,25,30)