methyl 3-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 4-morpholino-3-[(3-sec-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-[(3-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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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)OC)N3CCOCC3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C24H29N3O5S/c1-4-16(2)32-19-7-5-6-17(14-19)22(28)26-24(33)25-20-15-18(23(29)30-3)8-9-21(20)27-10-12-31-13-11-27/h5-9,14-16H,4,10-13H2,1-3H3,(H2,25,26,28,33)