N-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(3-chloro-4-morpholino-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(3-chloro-4-morpholino-phenyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=S)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=S)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-15-13-14(5-6-16(15)23-9-11-26-12-10-23)22-19(25)7-8-24-17-3-1-2-4-18(17)27-20(24)28/h1-6,13H,7-12H2,(H,22,25)