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

Systemtic Name: N-[2-(4-methylphenyl)-3-oxidanylidene-3-[(phenylmethyl)amino]-1-thiophen-2-yl-propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(benzylamino)-3-oxo-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-methylphenyl)-3-oxo-3-[(phenylmethyl)amino]-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(benzylamino)-2-(4-methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(benzylamino)-3-keto-2-(p-tolyl)-1-(2-thienyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C30H28N2O4S MolecularWeight: 512.61932

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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)NCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O4S/c1-20-9-11-22(12-10-20)27(30(34)31-19-21-6-3-2-4-7-21)28(26-8-5-17-37-26)32-29(33)23-13-14-24-25(18-23)36-16-15-35-24/h2-14,17-18,27-28H,15-16,19H2,1H3,(H,31,34)(H,32,33)