N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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