3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)14-8-5-12(6-9-14)17(23)22-19(27)21-15-11-13(18(24)25)7-10-16(15)26-4/h5-11H,1-4H3,(H,24,25)(H2,21,22,23,27)