2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxyphenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(4-butoxybenzylidene)amino]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21N3O3S/c1-2-3-12-25-16-10-8-15(9-11-16)13-21-23-19(24)14-27-20-22-17-6-4-5-7-18(17)26-20/h4-11,13H,2-3,12,14H2,1H3,(H,23,24)/b21-13+