2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-chloro-5-methoxy-4-sec-butoxy-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(3-chloro-5-methoxy-4-sec-butoxy-benzylidene)amino]acetamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Cl)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H22ClN3O3S2/c1-4-13(2)28-20-15(22)9-14(10-17(20)27-3)11-23-25-19(26)12-29-21-24-16-7-5-6-8-18(16)30-21/h5-11,13H,4,12H2,1-3H3,(H,25,26)