1-[4-[(2-methoxy-5-propan-2-yl-phenyl)methyl]piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-[(2-methoxy-5-propan-2-yl-phenyl)methyl]piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-[(5-isopropyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(5-isopropyl-2-methoxy-benzyl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H34N2O3S/c1-19(2)21-7-11-25(31-3)22(17-21)18-27-13-15-28(16-14-27)26(30)12-10-24(29)20-5-8-23(32-4)9-6-20/h5-9,11,17,19H,10,12-16,18H2,1-4H3