methyl 3-[(3-butoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

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