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

Systemtic Name: N-[3-(tert-butylamino)-2-(4-methylphenyl)-3-oxidanylidene-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(tert-butylamino)-3-oxo-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-(tert-butylamino)-2-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(tert-butylamino)-2-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(tert-butylamino)-3-keto-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-17-7-9-18(10-8-17)23(26(31)29-27(2,3)4)24(22-6-5-15-34-22)28-25(30)19-11-12-20-21(16-19)33-14-13-32-20/h5-12,15-16,23-24H,13-14H2,1-4H3,(H,28,30)(H,29,31)