2-[(4-dimethylaminophenyl)methylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[4-(dimethylamino)benzyl]amino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C25H29N3O2S/c1-28(2)18-14-12-17(13-15-18)16-26-25-23(19-8-4-7-11-22(19)31-25)24(29)27-20-9-5-6-10-21(20)30-3/h5-6,9-10,12-15,26H,4,7-8,11,16H2,1-3H3,(H,27,29)