4-[(2S)-butan-2-yl]oxy-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(2S)-butan-2-yl]oxy-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-4-[(1S)-1-methylpropoxy]benzamide CAS Name: 4-[(2S)-butan-2-yl]oxy-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(2S)-butan-2-yl]oxy-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-4-[(1S)-1-methylpropoxy]benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-3-15(2)29-18-7-4-16(5-8-18)21(27)25-22(30)24-17-6-9-20(19(23)14-17)26-10-12-28-13-11-26/h4-9,14-15H,3,10-13H2,1-2H3,(H2,24,25,27,30)/t15-/m0/s1