3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-methyl-benzoate

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methylbenzoate Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-2-methyl-benzoate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3S/c1-12-15(18(24)25)6-5-7-16(12)21-19(26)22-17(23)13-8-10-14(11-9-13)20(2,3)4/h5-11H,1-4H3,(H,24,25)(H2,21,22,23,26)/p-1