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

Systemtic Name: methyl 4-[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(4-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=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

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