ethyl 4-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,6-diisopropylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[(2,6-diisopropylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C22H28N2O2S/c1-6-26-21(25)16-10-12-17(13-11-16)23-22(27)24-20-18(14(2)3)8-7-9-19(20)15(4)5/h7-15H,6H2,1-5H3,(H2,23,24,27)