N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-3-chloro-benzothiophene-2-carboxamide Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C21H22ClNO3S/c1-3-4-11-26-16-10-9-14(12-17(16)25-2)13-23-21(24)20-19(22)15-7-5-6-8-18(15)27-20/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,24)