N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C21H24ClN3O5S/c1-27-17-10-13(11-18(28-2)19(17)29-3)20(26)24-21(31)23-14-4-5-16(15(22)12-14)25-6-8-30-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H2,23,24,26,31)