methyl 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoate

Systemtic Name: methyl 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoate Openeye Name: methyl 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoate CAS Name: 3-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoate Traditional Name: 3-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]benzoic acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)18-10-8-15(9-11-18)13-22-20(26)23-14-16-6-5-7-17(12-16)19(24)25-4/h5-12H,13-14H2,1-4H3,(H2,22,23,26)