2-[(3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)carbonylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide Openeye Name: 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide IUPAC Name: 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide Formula: C25H34N2O5S MolecularWeight: 474.61286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)N

InChI

InChI=1S/C25H34N2O5S/c1-30-18-14-16(15-19(31-2)22(18)32-3)24(29)27-25-21(23(26)28)17-12-10-8-6-4-5-7-9-11-13-20(17)33-25/h14-15H,4-13H2,1-3H3,(H2,26,28)(H,27,29)