N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-methoxyphenyl)-2-(2-thienylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-methoxyphenyl)-2-(2-thenylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

InChI

InChI=1S/C21H22N2O2S2/c1-25-15-10-8-14(9-11-15)23-20(24)19-17-6-2-3-7-18(17)27-21(19)22-13-16-5-4-12-26-16/h4-5,8-12,22H,2-3,6-7,13H2,1H3,(H,23,24)