N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3-methyl-coumarilamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCOCC4)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-13-15-4-2-3-5-18(15)28-19(13)20(26)24-21(29)23-14-6-7-17(16(22)12-14)25-8-10-27-11-9-25/h2-7,12H,8-11H2,1H3,(H2,23,24,26,29)