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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(4-allyloxy-3-methoxy-phenyl)methyleneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(4-allyloxy-3-methoxy-benzylidene)amino]-2-(1,3-benzothiazol-2-ylthio)acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)OCC=C

InChI

InChI=1S/C20H19N3O3S2/c1-3-10-26-16-9-8-14(11-17(16)25-2)12-21-23-19(24)13-27-20-22-15-6-4-5-7-18(15)28-20/h3-9,11-12H,1,10,13H2,2H3,(H,23,24)/b21-12+