2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dipropoxyphenyl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dipropoxyphenyl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dipropoxyphenyl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3,4-dipropoxyphenyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dipropoxyphenyl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3,4-dipropoxyphenyl)acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)OCCC

InChI

InChI=1S/C21H24N2O4S/c1-3-11-25-18-10-9-15(13-19(18)26-12-4-2)22-20(24)14-28-21-23-16-7-5-6-8-17(16)27-21/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)