N-(2,4-dimethoxyphenyl)-2-[(4-dimethylaminophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[(4-dimethylaminophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[(4-dimethylaminophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[(4-dimethylaminophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(4-dimethylaminophenyl)methylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[4-(dimethylamino)benzyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=C(C3=C(S2)CCCCC3)C(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=C(C3=C(S2)CCCCC3)C(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H33N3O3S/c1-30(2)19-12-10-18(11-13-19)17-28-27-25(21-8-6-5-7-9-24(21)34-27)26(31)29-22-15-14-20(32-3)16-23(22)33-4/h10-16,28H,5-9,17H2,1-4H3,(H,29,31)