N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(3-chloro-2-morpholino-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCOCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCOCC3

InChI

InChI=1S/C22H26ClN3O3S/c1-15(2)14-29-17-8-6-16(7-9-17)21(27)25-22(30)24-19-5-3-4-18(23)20(19)26-10-12-28-13-11-26/h3-9,15H,10-14H2,1-2H3,(H2,24,25,27,30)