(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methanethione CAS Name: (3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)methanethione Formula: C23H25BrN2O2S MolecularWeight: 473.4258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O2S/c1-3-14-28-22-20(24)15-19(16-21(22)27-4-2)23(29)26-12-10-25(11-13-26)17-18-8-6-5-7-9-18/h1,5-9,15-16H,4,10-14,17H2,2H3