N-[3-[(4-methoxyphenyl)methylamino]-2-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-[(4-methoxyphenyl)methylamino]-2-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-[(4-methoxyphenyl)methylamino]-3-oxo-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-[(4-methoxyphenyl)methylamino]-2-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-[(4-methoxyphenyl)methylamino]-2-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-keto-3-(p-anisylamino)-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C31H30N2O5S MolecularWeight: 542.6453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=CC=CS2)NC(=O)C3=CC4=C(C=C3)OCCO4)C(=O)NCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C2=CC=CS2)NC(=O)C3=CC4=C(C=C3)OCCO4)C(=O)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C31H30N2O5S/c1-20-5-9-22(10-6-20)28(31(35)32-19-21-7-12-24(36-2)13-8-21)29(27-4-3-17-39-27)33-30(34)23-11-14-25-26(18-23)38-16-15-37-25/h3-14,17-18,28-29H,15-16,19H2,1-2H3,(H,32,35)(H,33,34)