2-azanyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-azanyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-amino-N-veratryl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC3=C2CCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC3=C2CCCC3)N)OC

InChI

InChI=1S/C18H22N2O3S/c1-22-13-8-7-11(9-14(13)23-2)10-20-18(21)16-12-5-3-4-6-15(12)24-17(16)19/h7-9H,3-6,10,19H2,1-2H3,(H,20,21)