[3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-ethoxy-4-isobutoxy-phenyl)methanethione CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methanethione Traditional Name: (4-benzylpiperazino)-(3-ethoxy-4-isobutoxy-phenyl)methanethione Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC(C)C

InChI

InChI=1S/C24H32N2O2S/c1-4-27-23-16-21(10-11-22(23)28-18-19(2)3)24(29)26-14-12-25(13-15-26)17-20-8-6-5-7-9-20/h5-11,16,19H,4,12-15,17-18H2,1-3H3