3-chloranyl-N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-(3-methoxy-4-propoxy-phenyl)methyleneamino]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-(3-methoxy-4-propoxy-benzylidene)amino]-6-methyl-benzothiophene-2-carboxamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)OC

InChI

InChI=1S/C21H21ClN2O3S/c1-4-9-27-16-8-6-14(11-17(16)26-3)12-23-24-21(25)20-19(22)15-7-5-13(2)10-18(15)28-20/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)/b23-12+