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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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