ethyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-isopropoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-isopropoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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