3-[[3-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[3-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[[3-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[3-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[3-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[[3-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CC[C@H](C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C20H22N2O4S/c1-4-13(3)26-16-7-5-6-14(10-16)18(23)22-20(27)21-17-11-15(19(24)25)9-8-12(17)2/h5-11,13H,4H2,1-3H3,(H,24,25)(H2,21,22,23,27)/t13-/m0/s1