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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-methoxyphenyl)-2-(veratrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N2O4S/c1-29-18-11-9-17(10-12-18)27-24(28)23-19-6-4-5-7-22(19)32-25(23)26-15-16-8-13-20(30-2)21(14-16)31-3/h8-14,26H,4-7,15H2,1-3H3,(H,27,28)