N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H31N3O3S/c1-20(28-27(31)24-19-32-22-10-5-6-11-23(22)33-24)26(25-12-7-17-34-25)30-15-13-29(14-16-30)18-21-8-3-2-4-9-21/h2-12,17,20,24,26H,13-16,18-19H2,1H3,(H,28,31)