2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-pentoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-pentoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-pentoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(4-amoxy-3-methoxy-benzylidene)amino]-2-(1,3-benzothiazol-2-ylthio)acetamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H25N3O3S2/c1-3-4-7-12-28-18-11-10-16(13-19(18)27-2)14-23-25-21(26)15-29-22-24-17-8-5-6-9-20(17)30-22/h5-6,8-11,13-14H,3-4,7,12,15H2,1-2H3,(H,25,26)/b23-14+