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

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-14(2)15-3-5-16(6-4-15)20(26)24-21(28)23-18-13-17(22)7-8-19(18)25-9-11-27-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,26,28)