N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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