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

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]oxyphenyl]carbonylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 2-methyl-3-[[4-[(1S)-1-methylpropoxy]benzoyl]carbamothioylamino]benzoate CAS Name: 3-[[[[[4-[(2S)-butan-2-yl]oxyphenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[[4-[(2S)-butan-2-yl]oxybenzoyl]carbamothioylamino]-2-methylbenzoate Traditional Name: 2-methyl-3-[[4-[(1S)-1-methylpropoxy]benzoyl]thiocarbamoylamino]benzoate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-4-12(2)26-15-10-8-14(9-11-15)18(23)22-20(27)21-17-7-5-6-16(13(17)3)19(24)25/h5-12H,4H2,1-3H3,(H,24,25)(H2,21,22,23,27)/p-1/t12-/m0/s1