3-ethoxy-N-[[3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholino-phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylphenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-morpholino-phenyl]thiocarbamoyl]benzamide Formula: C30H33N5O5S2 MolecularWeight: 607.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC

InChI

InChI=1S/C30H33N5O5S2/c1-3-39-23-9-5-7-20(17-23)27(36)33-29(41)31-22-11-12-26(35-13-15-38-16-14-35)25(19-22)32-30(42)34-28(37)21-8-6-10-24(18-21)40-4-2/h5-12,17-19H,3-4,13-16H2,1-2H3,(H2,31,33,36,41)(H2,32,34,37,42)