ethyl 4-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-6-26-19(24)14-7-10-16(11-8-14)22-20(27)23-17-13-15(21(2,3)4)9-12-18(17)25-5/h7-13H,6H2,1-5H3,(H2,22,23,27)