2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H29N3O4S/c1-19-8-10-20(11-9-19)26(24-7-4-16-35-24)28-25(31)17-29-12-14-30(15-13-29)27(32)23-18-33-21-5-2-3-6-22(21)34-23/h2-11,16,23,26H,12-15,17-18H2,1H3,(H,28,31)