methyl 4-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-14(2)11-12-27-18-6-4-5-16(13-18)19(24)23-21(28)22-17-9-7-15(8-10-17)20(25)26-3/h4-10,13-14H,11-12H2,1-3H3,(H2,22,23,24,28)