N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H24ClN3O3S/c1-2-11-28-17-6-3-15(4-7-17)20(26)24-21(29)23-18-14-16(22)5-8-19(18)25-9-12-27-13-10-25/h3-8,14H,2,9-13H2,1H3,(H2,23,24,26,29)