2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[2-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]phenyl]thio]-N-(2-furfuryl)acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4SCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4SCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C27H29N3O4S/c31-26(28-17-22-4-3-14-33-22)19-35-25-6-2-1-5-23(25)27(32)30-12-10-29(11-13-30)18-20-7-8-24-21(16-20)9-15-34-24/h1-8,14,16H,9-13,15,17-19H2,(H,28,31)