2-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-(2-furylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[1-[4-(2-furanylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(2-furfuryl)piperazino]-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O3S/c1-16-5-7-18(8-6-16)22-20(25)15-28-17(2)21(26)24-11-9-23(10-12-24)14-19-4-3-13-27-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,22,25)